ethyl 3-[acetyl(benzyl)amino]propanoate

C14H19NO3 — CID 14922098

IUPACethyl 3-[acetyl(benzyl)amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(C)=O
InChIInChI=1S/C14H19NO3/c1-3-18-14(17)9-10-15(12(2)16)11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
InChIKeyQCNIWBXYUVRCTE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds6

About ethyl 3-[acetyl(benzyl)amino]propanoate

ethyl 3-[acetyl(benzyl)amino]propanoate (PubChem CID 14922098) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 3-[acetyl(benzyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[acetyl(benzyl)amino]propanoate
PubChem CID14922098
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 3-[acetyl(benzyl)amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(C)=O
InChIInChI=1S/C14H19NO3/c1-3-18-14(17)9-10-15(12(2)16)11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
InChIKeyQCNIWBXYUVRCTE-UHFFFAOYSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[acetyl(benzyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate
CID 43910778
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
ethyl 3-[benzyl-[[benzyl-(3-ethoxy-3-oxopropyl)amino]disulfanyl]amino]propanoate
CID 13421161
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate
CID 43910590
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418
ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
CID 43910678
(3-methyl-1-benzofuran-2-yl)methyl 3-[acetyl(benzyl)amino]propanoate
CID 86953756
ethyl 2-[3-[acetyl(benzyl)amino]propanoylamino]benzoate
CID 113118359

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[acetyl(benzyl)amino]propanoate?
The IUPAC name of ethyl 3-[acetyl(benzyl)amino]propanoate (CID 14922098) is ethyl 3-[acetyl(benzyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[acetyl(benzyl)amino]propanoate?
The canonical SMILES for ethyl 3-[acetyl(benzyl)amino]propanoate is CCOC(=O)CCN(Cc1ccccc1)C(C)=O.
What is the InChIKey of ethyl 3-[acetyl(benzyl)amino]propanoate?
The InChIKey is QCNIWBXYUVRCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-14(17)9-10-15(12(2)16)11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3.
What are the key properties of ethyl 3-[acetyl(benzyl)amino]propanoate?
ethyl 3-[acetyl(benzyl)amino]propanoate has a molecular weight of 249.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[acetyl(benzyl)amino]propanoate is sourced from PubChem (CID 14922098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).