[(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate

C15H19N3O3 — CID 6883889

IUPAC[(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate
SMILESO=C(/C=N/OC(=O)NC1CCCCC1)Nc1ccccc1
InChIInChI=1S/C15H19N3O3/c19-14(17-12-7-3-1-4-8-12)11-16-21-15(20)18-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,17,19)(H,18,20)/b16-11+
InChIKeyRWFILQVBEPSABA-LFIBNONCSA-N
MW289.33 g/mol
LogP2.67
Rot. Bonds4

About [(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate

[(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate (PubChem CID 6883889) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate
PubChem CID6883889
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate
SMILESO=C(/C=N/OC(=O)NC1CCCCC1)Nc1ccccc1
InChIInChI=1S/C15H19N3O3/c19-14(17-12-7-3-1-4-8-12)11-16-21-15(20)18-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,17,19)(H,18,20)/b16-11+
InChIKeyRWFILQVBEPSABA-LFIBNONCSA-N
XLogP2.67
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-phenyloxamide
CID 2271218
phenyl N-cyclooctylcarbamate
CID 60636968
1-cycloheptyl-3-phenylthiourea
CID 4085620
phenyl N-cyclopentylcarbamate
CID 12791466
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-3-cyclohexyl-N-phenylprop-2-enamide
CID 127126956
[[4-[cyclohexylcarbamoyl(methyl)amino]-4-methylpentan-2-ylidene]amino] N-phenylcarbamate
CID 3094103
N-cyclohexyl-2-oxo-2-(2-phenylhydrazinyl)acetamide
CID 3608144
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide
CID 165128942
(E)-4-[3-(cyclohexylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17170491
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate?
The IUPAC name of [(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate (CID 6883889) is [(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate.
What is the SMILES notation for [(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate?
The canonical SMILES for [(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate is O=C(/C=N/OC(=O)NC1CCCCC1)Nc1ccccc1.
What is the InChIKey of [(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate?
The InChIKey is RWFILQVBEPSABA-LFIBNONCSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(17-12-7-3-1-4-8-12)11-16-21-15(20)18-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,17,19)(H,18,20)/b16-11+.
What are the key properties of [(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate?
[(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate has a molecular weight of 289.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate is sourced from PubChem (CID 6883889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).