ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate

C16H21NO3 — CID 60725115

IUPACethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C16H21NO3/c1-2-20-16(19)11-10-15(18)17(14-8-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyJQDBVRHCAQOMPX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.52
Rot. Bonds7

About ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate

ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate (PubChem CID 60725115) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
PubChem CID60725115
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C16H21NO3/c1-2-20-16(19)11-10-15(18)17(14-8-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyJQDBVRHCAQOMPX-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate 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

6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
2-(2-aminoethoxy)-N-benzyl-N-cyclopropylacetamide
CID 79473802
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
ethyl 3-[benzyl-[[benzyl-(3-ethoxy-3-oxopropyl)amino]disulfanyl]amino]propanoate
CID 13421161
ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
CID 78925570

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate (CID 60725115) is ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate?
The InChIKey is JQDBVRHCAQOMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-20-16(19)11-10-15(18)17(14-8-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate?
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate has a molecular weight of 275.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate is sourced from PubChem (CID 60725115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).