[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate

C20H24N2O4 — CID 7778930

IUPAC[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C20H24N2O4/c1-2-3-4-13-19(24)26-14-18(23)22-17-12-8-7-11-16(17)20(25)21-15-9-5-6-10-15/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H,21,25)(H,22,23)/b3-2+,13-4+
InChIKeyKBBHYWVYZPSKEO-JDVNWEJLSA-N
MW356.42 g/mol
LogP2.97
Rot. Bonds7

About [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate (PubChem CID 7778930) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate.

Molecular Properties

Compound Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
PubChem CID7778930
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C20H24N2O4/c1-2-3-4-13-19(24)26-14-18(23)22-17-12-8-7-11-16(17)20(25)21-15-9-5-6-10-15/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H,21,25)(H,22,23)/b3-2+,13-4+
InChIKeyKBBHYWVYZPSKEO-JDVNWEJLSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate 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-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate
CID 8627861
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 16539773
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852438
trans-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8020791
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500353
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549755
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634261
N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 1226844
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 7813805
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 55490539
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527057
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16608103

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate?
The IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate (CID 7778930) is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate.
What is the SMILES notation for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate?
The canonical SMILES for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate is C/C=C/C=C/C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate?
The InChIKey is KBBHYWVYZPSKEO-JDVNWEJLSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-3-4-13-19(24)26-14-18(23)22-17-12-8-7-11-16(17)20(25)21-15-9-5-6-10-15/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H,21,25)(H,22,23)/b3-2+,13-4+.
What are the key properties of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate?
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate has a molecular weight of 356.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate is sourced from PubChem (CID 7778930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).