AC1LB2G1
2-(dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-methylpentanamide
Also Known As: Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-|2-(dimethylamino)-N-[6-[hydroxy(phenyl)methyl]-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]-3-methylpentanamide|2-(Dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-methylpentanamide #|2-(dimethylamino)-N-{7-[hydroxy(phenyl)methyl]-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl}-3-methylpentanamide|2-Dimethylamino-N-[7- -3- -5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1 ,12,15-trien-4-yl]-3-methylpentanamide|2-Dimethylamino-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-methylpentanamide
| Molecular Formula | C31H44N4O5 |
|---|---|
| Molecular Weight | 552.3312 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.3312 |
| Monoisotopic Mass | 552.3312 |
| Heavy Atoms | 40 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 72047-70-2 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC1C(OC2=CC=C(CCNC(=O)C(NC1=O)C(C3=CC=CC=C3)O)C=C2)C(C)C)N(C)C |
| InChIKey | VMJIVMNWUMWQGS-UHFFFAOYSA-N |
Product Overview
AC1LB2G1 (CAS 72047-70-2), with molecular formula C31H44N4O5 and molecular weight 552.3312 g/mol. IUPAC: 2-(dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-methylpentanamide.