3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide

C21H32N2O2 — CID 113122716

IUPAC3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN(C(C)=O)C1CCCCCC1
InChIInChI=1S/C21H32N2O2/c1-4-18-11-9-10-16(2)21(18)22-20(25)14-15-23(17(3)24)19-12-7-5-6-8-13-19/h9-11,19H,4-8,12-15H2,1-3H3,(H,22,25)
InChIKeyOBEVLDJOFAAGDL-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.46
Rot. Bonds6

About 3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide

3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 113122716) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID113122716
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN(C(C)=O)C1CCCCCC1
InChIInChI=1S/C21H32N2O2/c1-4-18-11-9-10-16(2)21(18)22-20(25)14-15-23(17(3)24)19-12-7-5-6-8-13-19/h9-11,19H,4-8,12-15H2,1-3H3,(H,22,25)
InChIKeyOBEVLDJOFAAGDL-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclohexyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113159510
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122274
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113127103
3-(N-acetyl-2,4-dimethylanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113124213
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
CID 8875644

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide (CID 113122716) is 3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCN(C(C)=O)C1CCCCCC1.
What is the InChIKey of 3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is OBEVLDJOFAAGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-4-18-11-9-10-16(2)21(18)22-20(25)14-15-23(17(3)24)19-12-7-5-6-8-13-19/h9-11,19H,4-8,12-15H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide?
3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 344.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 113122716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).