[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate

C21H30N2O4 — CID 9197048

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)CCC2CCCC2)c1
InChIInChI=1S/C21H30N2O4/c1-3-23(4-2)21(26)17-10-7-11-18(14-17)22-19(24)15-27-20(25)13-12-16-8-5-6-9-16/h7,10-11,14,16H,3-6,8-9,12-13,15H2,1-2H3,(H,22,24)
InChIKeyNHOVEFKXDHMDRN-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.62
Rot. Bonds9

About [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 9197048) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID9197048
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)CCC2CCCC2)c1
InChIInChI=1S/C21H30N2O4/c1-3-23(4-2)21(26)17-10-7-11-18(14-17)22-19(24)15-27-20(25)13-12-16-8-5-6-9-16/h7,10-11,14,16H,3-6,8-9,12-13,15H2,1-2H3,(H,22,24)
InChIKeyNHOVEFKXDHMDRN-UHFFFAOYSA-N
XLogP3.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate 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

[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate
CID 8560767
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202924
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
ethyl 3-(3-cyclopentylpropanoylamino)benzoate
CID 837279
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580497
4-O-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015295
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568240
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808978

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate (CID 9197048) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate is CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)CCC2CCCC2)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is NHOVEFKXDHMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-3-23(4-2)21(26)17-10-7-11-18(14-17)22-19(24)15-27-20(25)13-12-16-8-5-6-9-16/h7,10-11,14,16H,3-6,8-9,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 374.48 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 9197048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).