DTXSID90861485

ethyl 4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate

CAS: 941296-93-1

Molecular Formula	`C16H28N2O4`
Molecular Weight	312.4 g/mol
LogP	1.1
Topological Polar Surface Area	90.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	312.2049
Heavy Atoms	22
Complexity	418.0

Chemical Identifiers

CAS Number	941296-93-1
SMILES	`CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC`
InChIKey	`VSZGPKBBMSAYNT-UHFFFAOYSA-N`

📖 Product Overview

DTXSID90861485 (CAS: 941296-93-1) is a chemical compound with molecular formula C16H28N2O4 and molecular weight 312.4 g/mol. Its IUPAC systematic name is ethyl 4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate. LogP 1.1 Topological Polar Surface Area 90.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 312.2049 Heavy Atoms 22 Complexity 418.0 InChI Key: VSZGPKBBMSAYNT-UHFFFAOYSA-N. SMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC.

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