4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide

C18H24N4O3 — CID 6088595

IUPAC4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H24N4O3/c1-12(11-17(24)20-15-5-3-4-6-15)21-22-18(25)14-7-9-16(10-8-14)19-13(2)23/h7-10,15H,3-6,11H2,1-2H3,(H,19,23)(H,20,24)(H,22,25)/b21-12+
InChIKeyOPBQSLYUQODKOY-CIAFOILYSA-N
MW344.42 g/mol
LogP2.20
Rot. Bonds6

About 4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide

4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide (PubChem CID 6088595) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide
PubChem CID6088595
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H24N4O3/c1-12(11-17(24)20-15-5-3-4-6-15)21-22-18(25)14-7-9-16(10-8-14)19-13(2)23/h7-10,15H,3-6,11H2,1-2H3,(H,19,23)(H,20,24)(H,22,25)/b21-12+
InChIKeyOPBQSLYUQODKOY-CIAFOILYSA-N
XLogP2.20
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 171981064
4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 3489844
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
CID 6186119
4-acetamido-N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 4534624
N-[[4-(cyclooctylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 2867599
N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 3108542
N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 4307620
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
4-(acetylcarbamothioylamino)-N-cyclohexylbenzamide
CID 28587900

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide?
The IUPAC name of 4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide (CID 6088595) is 4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide?
The canonical SMILES for 4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)NC2CCCC2)cc1.
What is the InChIKey of 4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide?
The InChIKey is OPBQSLYUQODKOY-CIAFOILYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(11-17(24)20-15-5-3-4-6-15)21-22-18(25)14-7-9-16(10-8-14)19-13(2)23/h7-10,15H,3-6,11H2,1-2H3,(H,19,23)(H,20,24)(H,22,25)/b21-12+.
What are the key properties of 4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide?
4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide has a molecular weight of 344.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide is sourced from PubChem (CID 6088595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).