4-acetamido-N-(cyclohexylideneamino)benzamide

C15H19N3O2 — CID 4510356

IUPAC4-acetamido-N-(cyclohexylideneamino)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C15H19N3O2/c1-11(19)16-13-9-7-12(8-10-13)15(20)18-17-14-5-3-2-4-6-14/h7-10H,2-6H2,1H3,(H,16,19)(H,18,20)
InChIKeyQXEPYKACVJHISS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.69
Rot. Bonds3

About 4-acetamido-N-(cyclohexylideneamino)benzamide

4-acetamido-N-(cyclohexylideneamino)benzamide (PubChem CID 4510356) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-acetamido-N-(cyclohexylideneamino)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(cyclohexylideneamino)benzamide
PubChem CID4510356
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-acetamido-N-(cyclohexylideneamino)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C15H19N3O2/c1-11(19)16-13-9-7-12(8-10-13)15(20)18-17-14-5-3-2-4-6-14/h7-10H,2-6H2,1H3,(H,16,19)(H,18,20)
InChIKeyQXEPYKACVJHISS-UHFFFAOYSA-N
XLogP2.69
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
N-(cyclopentylideneamino)-4-(propanoylamino)benzamide
CID 910224
4-(butanoylamino)-N-(cyclohexylideneamino)benzamide
CID 913662
4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 910317
4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 4924296
N-(cyclododecylideneamino)benzamide
CID 4147051
N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide
CID 156598002
N-(cyclohexylideneamino)-4-(diethylamino)benzamide
CID 7929020
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide
CID 126122432
N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
CID 71902500
4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4510435

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(cyclohexylideneamino)benzamide?
The IUPAC name of 4-acetamido-N-(cyclohexylideneamino)benzamide (CID 4510356) is 4-acetamido-N-(cyclohexylideneamino)benzamide.
What is the SMILES notation for 4-acetamido-N-(cyclohexylideneamino)benzamide?
The canonical SMILES for 4-acetamido-N-(cyclohexylideneamino)benzamide is CC(=O)Nc1ccc(C(=O)NN=C2CCCCC2)cc1.
What is the InChIKey of 4-acetamido-N-(cyclohexylideneamino)benzamide?
The InChIKey is QXEPYKACVJHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(19)16-13-9-7-12(8-10-13)15(20)18-17-14-5-3-2-4-6-14/h7-10H,2-6H2,1H3,(H,16,19)(H,18,20).
What are the key properties of 4-acetamido-N-(cyclohexylideneamino)benzamide?
4-acetamido-N-(cyclohexylideneamino)benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(cyclohexylideneamino)benzamide is sourced from PubChem (CID 4510356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).