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

C19H28N2O2 — CID 113122702

IUPAC3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)C1CCCCCC1
InChIInChI=1S/C19H28N2O2/c1-15-8-7-9-17(14-15)20-19(23)12-13-21(16(2)22)18-10-5-3-4-6-11-18/h7-9,14,18H,3-6,10-13H2,1-2H3,(H,20,23)
InChIKeyQOEJQYOVSALCNQ-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.89
Rot. Bonds5

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

3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide (PubChem CID 113122702) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
PubChem CID113122702
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)C1CCCCCC1
InChIInChI=1S/C19H28N2O2/c1-15-8-7-9-17(14-15)20-19(23)12-13-21(16(2)22)18-10-5-3-4-6-11-18/h7-9,14,18H,3-6,10-13H2,1-2H3,(H,20,23)
InChIKeyQOEJQYOVSALCNQ-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113122642
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
CID 113122510
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide (CID 113122702) is 3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1)C1CCCCCC1.
What is the InChIKey of 3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide?
The InChIKey is QOEJQYOVSALCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-8-7-9-17(14-15)20-19(23)12-13-21(16(2)22)18-10-5-3-4-6-11-18/h7-9,14,18H,3-6,10-13H2,1-2H3,(H,20,23).
What are the key properties of 3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide?
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide has a molecular weight of 316.44 g/mol, XLogP of 3.89, 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-(3-methylphenyl)propanamide is sourced from PubChem (CID 113122702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).