3-methyl-N-phenylcyclobutane-1-carboxamide

C12H15NO — CID 121011883

IUPAC3-methyl-N-phenylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C12H15NO/c1-9-7-10(8-9)12(14)13-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,13,14)
InChIKeyNXVZIRIISBCONT-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.67
Rot. Bonds2

About 3-methyl-N-phenylcyclobutane-1-carboxamide

3-methyl-N-phenylcyclobutane-1-carboxamide (PubChem CID 121011883) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-methyl-N-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-phenylcyclobutane-1-carboxamide
PubChem CID121011883
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-methyl-N-phenylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C12H15NO/c1-9-7-10(8-9)12(14)13-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,13,14)
InChIKeyNXVZIRIISBCONT-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
CID 178058411
(3,5-dimethylcyclohexyl) N-phenylcarbamate
CID 58534443
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
(1R,2S,3R,4S)-2-N,3-N-diphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 11897377

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenylcyclobutane-1-carboxamide?
The IUPAC name of 3-methyl-N-phenylcyclobutane-1-carboxamide (CID 121011883) is 3-methyl-N-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-methyl-N-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 3-methyl-N-phenylcyclobutane-1-carboxamide is CC1CC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-methyl-N-phenylcyclobutane-1-carboxamide?
The InChIKey is NXVZIRIISBCONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-7-10(8-9)12(14)13-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,13,14).
What are the key properties of 3-methyl-N-phenylcyclobutane-1-carboxamide?
3-methyl-N-phenylcyclobutane-1-carboxamide has a molecular weight of 189.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 121011883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).