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

C20H30N2O2 — CID 113122642

IUPAC3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1cccc(C)c1)C1CCCCCC1
InChIInChI=1S/C20H30N2O2/c1-16-8-7-9-18(14-16)15-21-20(24)12-13-22(17(2)23)19-10-5-3-4-6-11-19/h7-9,14,19H,3-6,10-13,15H2,1-2H3,(H,21,24)
InChIKeyFVHQDUSDELFVKX-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.57
Rot. Bonds6

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

3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 113122642) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide
PubChem CID113122642
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1cccc(C)c1)C1CCCCCC1
InChIInChI=1S/C20H30N2O2/c1-16-8-7-9-18(14-16)15-21-20(24)12-13-22(17(2)23)19-10-5-3-4-6-11-19/h7-9,14,19H,3-6,10-13,15H2,1-2H3,(H,21,24)
InChIKeyFVHQDUSDELFVKX-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(cyclopentyl)amino]-N-benzylpropanamide
CID 113116330
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113121597
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136268
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116338
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165684
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide (CID 113122642) is 3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1cccc(C)c1)C1CCCCCC1.
What is the InChIKey of 3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is FVHQDUSDELFVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-8-7-9-18(14-16)15-21-20(24)12-13-22(17(2)23)19-10-5-3-4-6-11-19/h7-9,14,19H,3-6,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 330.47 g/mol, XLogP of 3.57, 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-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113122642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).