4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide

C21H24N2O2 — CID 138002353

IUPAC4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide
SMILESCC(=O)N(C)c1ccc(C(=O)NC2(c3cccc(C)c3)CCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-15-6-4-7-18(14-15)21(12-5-13-21)22-20(25)17-8-10-19(11-9-17)23(3)16(2)24/h4,6-11,14H,5,12-13H2,1-3H3,(H,22,25)
InChIKeyVVVFYPCSLRVMKF-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.79
Rot. Bonds4

About 4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide

4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide (PubChem CID 138002353) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide
PubChem CID138002353
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide
SMILESCC(=O)N(C)c1ccc(C(=O)NC2(c3cccc(C)c3)CCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-15-6-4-7-18(14-15)21(12-5-13-21)22-20(25)17-8-10-19(11-9-17)23(3)16(2)24/h4,6-11,14H,5,12-13H2,1-3H3,(H,22,25)
InChIKeyVVVFYPCSLRVMKF-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 110444472
3-amino-N-[1-(3-methylphenyl)cyclopentyl]benzamide
CID 119770621
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
CID 119316008
1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea
CID 110469555
4-[[1-(3-methylphenyl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673434
4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide
CID 51273167
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479
N-[1-(3-methylphenyl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770626
2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 46963770
4-amino-3-methoxy-N-[1-(3-methylphenyl)cyclopentyl]butanamide
CID 120591466

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide?
The IUPAC name of 4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide (CID 138002353) is 4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide.
What is the SMILES notation for 4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide?
The canonical SMILES for 4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide is CC(=O)N(C)c1ccc(C(=O)NC2(c3cccc(C)c3)CCC2)cc1.
What is the InChIKey of 4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide?
The InChIKey is VVVFYPCSLRVMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-6-4-7-18(14-15)21(12-5-13-21)22-20(25)17-8-10-19(11-9-17)23(3)16(2)24/h4,6-11,14H,5,12-13H2,1-3H3,(H,22,25).
What are the key properties of 4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide?
4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]-N-[1-(3-methylphenyl)cyclobutyl]benzamide is sourced from PubChem (CID 138002353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).