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

C20H30N2O2 — CID 113122712

IUPAC3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1C)C1CCCCCC1
InChIInChI=1S/C20H30N2O2/c1-15-9-8-12-19(16(15)2)21-20(24)13-14-22(17(3)23)18-10-6-4-5-7-11-18/h8-9,12,18H,4-7,10-11,13-14H2,1-3H3,(H,21,24)
InChIKeyYTBBPAPEQMPBQV-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.20
Rot. Bonds5

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

3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 113122712) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
PubChem CID113122712
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1C)C1CCCCCC1
InChIInChI=1S/C20H30N2O2/c1-15-9-8-12-19(16(15)2)21-20(24)13-14-22(17(3)23)18-10-6-4-5-7-11-18/h8-9,12,18H,4-7,10-11,13-14H2,1-3H3,(H,21,24)
InChIKeyYTBBPAPEQMPBQV-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(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122716
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
CID 109014195
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 60911691
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113116691
3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122902

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide (CID 113122712) is 3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1C)C1CCCCCC1.
What is the InChIKey of 3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is YTBBPAPEQMPBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-9-8-12-19(16(15)2)21-20(24)13-14-22(17(3)23)18-10-6-4-5-7-11-18/h8-9,12,18H,4-7,10-11,13-14H2,1-3H3,(H,21,24).
What are the key properties of 3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide?
3-[acetyl(cycloheptyl)amino]-N-(2,3-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-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 113122712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).