N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide

C23H28N2O3 — CID 57251136

IUPACN-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide
SMILESCCC(=O)N(c1ccc(C)c(NC(=O)c2ccc(O)cc2)c1)C1CCCCC1
InChIInChI=1S/C23H28N2O3/c1-3-22(27)25(18-7-5-4-6-8-18)19-12-9-16(2)21(15-19)24-23(28)17-10-13-20(26)14-11-17/h9-15,18,26H,3-8H2,1-2H3,(H,24,28)
InChIKeyCJXDJILLEMVWPJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.03
Rot. Bonds5

About N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide

N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide (PubChem CID 57251136) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide
PubChem CID57251136
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide
SMILESCCC(=O)N(c1ccc(C)c(NC(=O)c2ccc(O)cc2)c1)C1CCCCC1
InChIInChI=1S/C23H28N2O3/c1-3-22(27)25(18-7-5-4-6-8-18)19-12-9-16(2)21(15-19)24-23(28)17-10-13-20(26)14-11-17/h9-15,18,26H,3-8H2,1-2H3,(H,24,28)
InChIKeyCJXDJILLEMVWPJ-UHFFFAOYSA-N
XLogP5.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-N-cyclopentyl-N-ethyl-4-methylbenzamide
CID 55632308
N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
CID 10500851
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092
methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate
CID 51170598
3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
CID 24695586
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-(5-amino-2,4-dimethylphenyl)-4-hydroxybenzamide
CID 104757000
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54846165

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide?
The IUPAC name of N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide (CID 57251136) is N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide is CCC(=O)N(c1ccc(C)c(NC(=O)c2ccc(O)cc2)c1)C1CCCCC1.
What is the InChIKey of N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide?
The InChIKey is CJXDJILLEMVWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-22(27)25(18-7-5-4-6-8-18)19-12-9-16(2)21(15-19)24-23(28)17-10-13-20(26)14-11-17/h9-15,18,26H,3-8H2,1-2H3,(H,24,28).
What are the key properties of N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide?
N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide has a molecular weight of 380.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclohexyl(propanoyl)amino]-2-methylphenyl]-4-hydroxybenzamide is sourced from PubChem (CID 57251136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).