DTXSID00861330

2-ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid

CAS: 135969-54-9

Molecular Formula	`C27H36N2O4`
Molecular Weight	452.6 g/mol
LogP	5.2
Topological Polar Surface Area	78.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	10
Exact Mass	452.26752
Heavy Atoms	33
Complexity	619.0

Chemical Identifiers

CAS Number	135969-54-9
SMILES	`CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O`
InChIKey	`FAEKWTJYAYMJKF-UHFFFAOYSA-N`

📖 Product Overview

DTXSID00861330 (CAS: 135969-54-9) is a chemical compound with molecular formula C27H36N2O4 and molecular weight 452.6 g/mol. Its IUPAC systematic name is 2-ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid. LogP 5.2 Topological Polar Surface Area 78.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 10 Exact Mass 452.26752 Heavy Atoms 33 Complexity 619.0 InChI Key: FAEKWTJYAYMJKF-UHFFFAOYSA-N. SMILES: CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O.

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