N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide

C18H26N2O2 — CID 131913766

IUPACN-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H26N2O2/c1-13-8-10-16(19-14(2)21)17(12-13)20-18(22)11-9-15-6-4-3-5-7-15/h8,10,12,15H,3-7,9,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQTBHRPXUNINBTD-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.25
Rot. Bonds5

About N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide

N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide (PubChem CID 131913766) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
PubChem CID131913766
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H26N2O2/c1-13-8-10-16(19-14(2)21)17(12-13)20-18(22)11-9-15-6-4-3-5-7-15/h8,10,12,15H,3-7,9,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQTBHRPXUNINBTD-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
3,4-bis(3-cyclohexylpropanoylamino)benzoate
CID 7309256
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60803312
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide
CID 60813037
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
CID 957346
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
CID 38091591

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide (CID 131913766) is N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide is CC(=O)Nc1ccc(C)cc1NC(=O)CCC1CCCCC1.
What is the InChIKey of N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide?
The InChIKey is QTBHRPXUNINBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-8-10-16(19-14(2)21)17(12-13)20-18(22)11-9-15-6-4-3-5-7-15/h8,10,12,15H,3-7,9,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide?
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 131913766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).