4-(butanoylamino)-N-(cyclohexylideneamino)benzamide

C17H23N3O2 — CID 913662

IUPAC4-(butanoylamino)-N-(cyclohexylideneamino)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C17H23N3O2/c1-2-6-16(21)18-14-11-9-13(10-12-14)17(22)20-19-15-7-4-3-5-8-15/h9-12H,2-8H2,1H3,(H,18,21)(H,20,22)
InChIKeyOFJMRDXOJIYBQP-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.48
Rot. Bonds5

About 4-(butanoylamino)-N-(cyclohexylideneamino)benzamide

4-(butanoylamino)-N-(cyclohexylideneamino)benzamide (PubChem CID 913662) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(cyclohexylideneamino)benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(cyclohexylideneamino)benzamide
PubChem CID913662
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-(butanoylamino)-N-(cyclohexylideneamino)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C17H23N3O2/c1-2-6-16(21)18-14-11-9-13(10-12-14)17(22)20-19-15-7-4-3-5-8-15/h9-12H,2-8H2,1H3,(H,18,21)(H,20,22)
InChIKeyOFJMRDXOJIYBQP-UHFFFAOYSA-N
XLogP3.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.48
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

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CID 910224
4-acetamido-N-(cyclohexylideneamino)benzamide
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N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
N-(cyclohexylideneamino)-4-(diethylamino)benzamide
CID 7929020
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide
CID 913667
N-(cyclododecylideneamino)benzamide
CID 4147051
N-(cyclohexylideneamino)-4-hexoxybenzamide
CID 4930590
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-(butanoylamino)-N-[(E)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 38055725

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-(cyclohexylideneamino)benzamide?
The IUPAC name of 4-(butanoylamino)-N-(cyclohexylideneamino)benzamide (CID 913662) is 4-(butanoylamino)-N-(cyclohexylideneamino)benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-(cyclohexylideneamino)benzamide?
The canonical SMILES for 4-(butanoylamino)-N-(cyclohexylideneamino)benzamide is CCCC(=O)Nc1ccc(C(=O)NN=C2CCCCC2)cc1.
What is the InChIKey of 4-(butanoylamino)-N-(cyclohexylideneamino)benzamide?
The InChIKey is OFJMRDXOJIYBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-6-16(21)18-14-11-9-13(10-12-14)17(22)20-19-15-7-4-3-5-8-15/h9-12H,2-8H2,1H3,(H,18,21)(H,20,22).
What are the key properties of 4-(butanoylamino)-N-(cyclohexylideneamino)benzamide?
4-(butanoylamino)-N-(cyclohexylideneamino)benzamide has a molecular weight of 301.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(cyclohexylideneamino)benzamide is sourced from PubChem (CID 913662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).