3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide

C20H28N2O3 — CID 113122753

IUPAC3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)C2CCCCCC2)c1
InChIInChI=1S/C20H28N2O3/c1-15(23)17-8-7-9-18(14-17)21-20(25)12-13-22(16(2)24)19-10-5-3-4-6-11-19/h7-9,14,19H,3-6,10-13H2,1-2H3,(H,21,25)
InChIKeyMBFGVLFHKSRFEN-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.79
Rot. Bonds6

About 3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide

3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide (PubChem CID 113122753) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
PubChem CID113122753
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)C2CCCCCC2)c1
InChIInChI=1S/C20H28N2O3/c1-15(23)17-8-7-9-18(14-17)21-20(25)12-13-22(16(2)24)19-10-5-3-4-6-11-19/h7-9,14,19H,3-6,10-13H2,1-2H3,(H,21,25)
InChIKeyMBFGVLFHKSRFEN-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
N'-(3-acetylphenyl)-N-cyclopentylpropanediamide
CID 108942255
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide
CID 113159568
N-(3-acetylphenyl)-2-[benzyl(cyclohexyl)amino]acetamide
CID 52688849
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide (CID 113122753) is 3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide is CC(=O)c1cccc(NC(=O)CCN(C(C)=O)C2CCCCCC2)c1.
What is the InChIKey of 3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide?
The InChIKey is MBFGVLFHKSRFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(23)17-8-7-9-18(14-17)21-20(25)12-13-22(16(2)24)19-10-5-3-4-6-11-19/h7-9,14,19H,3-6,10-13H2,1-2H3,(H,21,25).
What are the key properties of 3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide?
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide has a molecular weight of 344.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide is sourced from PubChem (CID 113122753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).