2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide

C24H30N2O3 — CID 4956533

IUPAC2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H30N2O3/c1-2-3-16-29-20-13-9-10-18(17-20)23(27)26-22-15-8-7-14-21(22)24(28)25-19-11-5-4-6-12-19/h7-10,13-15,17,19H,2-6,11-12,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyFUPUSSVIACSYFH-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.18
Rot. Bonds8

About 2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide

2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide (PubChem CID 4956533) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
PubChem CID4956533
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H30N2O3/c1-2-3-16-29-20-13-9-10-18(17-20)23(27)26-22-15-8-7-14-21(22)24(28)25-19-11-5-4-6-12-19/h7-10,13-15,17,19H,2-6,11-12,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyFUPUSSVIACSYFH-UHFFFAOYSA-N
XLogP5.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
CID 17354046
2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
CID 4956581
N-cyclohexyl-3-propoxybenzamide
CID 4960053
2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
CID 17188531
5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
CID 17350012
N-cyclohexyl-2-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 4934066
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 34282702
2-[(3-butoxybenzoyl)carbamothioylamino]-N-cyclohexyl-N-methylbenzamide
CID 4957122
N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4955039
N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 6009307
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide (CID 4956533) is 2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide is CCCCOc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide?
The InChIKey is FUPUSSVIACSYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-2-3-16-29-20-13-9-10-18(17-20)23(27)26-22-15-8-7-14-21(22)24(28)25-19-11-5-4-6-12-19/h7-10,13-15,17,19H,2-6,11-12,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide?
2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 4956533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).