N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide

C19H28N2O2 — CID 46454647

IUPACN-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)CCCC2CCCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-14-11-12-17(20-15(2)22)13-18(14)21-19(23)10-6-9-16-7-4-3-5-8-16/h11-13,16H,3-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAEUNFAKAONLAOY-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.64
Rot. Bonds6

About N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide

N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide (PubChem CID 46454647) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide
PubChem CID46454647
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)CCCC2CCCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-14-11-12-17(20-15(2)22)13-18(14)21-19(23)10-6-9-16-7-4-3-5-8-16/h11-13,16H,3-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAEUNFAKAONLAOY-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
CID 10500851
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 33002263
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393
5-(3-cyclohexylpropanoylamino)-2-methylbenzoyl chloride
CID 10781094
N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide
CID 22057992
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide (CID 46454647) is N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide is CC(=O)Nc1ccc(C)c(NC(=O)CCCC2CCCCC2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide?
The InChIKey is AEUNFAKAONLAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-11-12-17(20-15(2)22)13-18(14)21-19(23)10-6-9-16-7-4-3-5-8-16/h11-13,16H,3-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide?
N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide has a molecular weight of 316.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide is sourced from PubChem (CID 46454647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).