N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide

C24H30N2O3 — CID 10500851

IUPACN-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
SMILESCc1ccc(NC(=O)CCCC2CCCCC2)cc1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C24H30N2O3/c1-17-10-13-20(25-23(28)9-5-8-18-6-3-2-4-7-18)16-22(17)26-24(29)19-11-14-21(27)15-12-19/h10-16,18,27H,2-9H2,1H3,(H,25,28)(H,26,29)
InChIKeyCUMKVKCBMDRPRI-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.64
Rot. Bonds7

About N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide

N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide (PubChem CID 10500851) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
PubChem CID10500851
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
SMILESCc1ccc(NC(=O)CCCC2CCCCC2)cc1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C24H30N2O3/c1-17-10-13-20(25-23(28)9-5-8-18-6-3-2-4-7-18)16-22(17)26-24(29)19-11-14-21(27)15-12-19/h10-16,18,27H,2-9H2,1H3,(H,25,28)(H,26,29)
InChIKeyCUMKVKCBMDRPRI-UHFFFAOYSA-N
XLogP5.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide
CID 46454647
N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide
CID 22057992
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 33002263
N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide
CID 18343685
2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
[4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate
CID 10526294
5-(3-cyclohexylpropanoylamino)-2-methylbenzoyl chloride
CID 10781094
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092
N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide
CID 9275952
N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide
CID 57251136

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide?
The IUPAC name of N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide (CID 10500851) is N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide is Cc1ccc(NC(=O)CCCC2CCCCC2)cc1NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide?
The InChIKey is CUMKVKCBMDRPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-10-13-20(25-23(28)9-5-8-18-6-3-2-4-7-18)16-22(17)26-24(29)19-11-14-21(27)15-12-19/h10-16,18,27H,2-9H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide?
N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide has a molecular weight of 394.52 g/mol, XLogP of 5.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide is sourced from PubChem (CID 10500851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).