N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide

C23H28N2O3 — CID 57284911

IUPACN-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide
SMILESCc1c(NC(=O)CCC2CCCCC2)cccc1NC(=O)c1ccccc1O
InChIInChI=1S/C23H28N2O3/c1-16-19(24-22(27)15-14-17-8-3-2-4-9-17)11-7-12-20(16)25-23(28)18-10-5-6-13-21(18)26/h5-7,10-13,17,26H,2-4,8-9,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyONCRGPNMHJNVCI-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.25
Rot. Bonds6

About N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide

N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide (PubChem CID 57284911) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide
PubChem CID57284911
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide
SMILESCc1c(NC(=O)CCC2CCCCC2)cccc1NC(=O)c1ccccc1O
InChIInChI=1S/C23H28N2O3/c1-16-19(24-22(27)15-14-17-8-3-2-4-9-17)11-7-12-20(16)25-23(28)18-10-5-6-13-21(18)26/h5-7,10-13,17,26H,2-4,8-9,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyONCRGPNMHJNVCI-UHFFFAOYSA-N
XLogP5.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 976246
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CID 27126992
3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 890273
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
CID 957346
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
3-cyclopentyl-N-[2-(hydroxymethyl)phenyl]propanamide
CID 60653813
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
CID 108922941
N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
CID 87028458
3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
CID 119259979
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide (CID 57284911) is N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide is Cc1c(NC(=O)CCC2CCCCC2)cccc1NC(=O)c1ccccc1O.
What is the InChIKey of N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide?
The InChIKey is ONCRGPNMHJNVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-19(24-22(27)15-14-17-8-3-2-4-9-17)11-7-12-20(16)25-23(28)18-10-5-6-13-21(18)26/h5-7,10-13,17,26H,2-4,8-9,14-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide?
N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide has a molecular weight of 380.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide is sourced from PubChem (CID 57284911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).