3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide

C20H30N2O2 — CID 113122707

IUPAC3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1C)C1CCCCCC1
InChIInChI=1S/C20H30N2O2/c1-15-10-11-19(16(2)14-15)21-20(24)12-13-22(17(3)23)18-8-6-4-5-7-9-18/h10-11,14,18H,4-9,12-13H2,1-3H3,(H,21,24)
InChIKeyURZHXXNGKNRHQN-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.20
Rot. Bonds5

About 3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide

3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 113122707) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
PubChem CID113122707
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1C)C1CCCCCC1
InChIInChI=1S/C20H30N2O2/c1-15-10-11-19(16(2)14-15)21-20(24)12-13-22(17(3)23)18-8-6-4-5-7-9-18/h10-11,14,18H,4-9,12-13H2,1-3H3,(H,21,24)
InChIKeyURZHXXNGKNRHQN-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113116691
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 113159569
3-[acetyl(2-methoxyethyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113116966
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
ethyl 4-[acetyl-[3-(2,5-dimethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122169
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 113118806

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide (CID 113122707) is 3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)cc1C)C1CCCCCC1.
What is the InChIKey of 3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is URZHXXNGKNRHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-10-11-19(16(2)14-15)21-20(24)12-13-22(17(3)23)18-8-6-4-5-7-9-18/h10-11,14,18H,4-9,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide?
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 330.47 g/mol, XLogP of 4.20, 5 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-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113122707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).