2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide

C15H18N2O — CID 63611364

IUPAC2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide
SMILESCN(CC1CCC1)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O/c1-17(11-14-3-2-4-14)15(18)9-12-5-7-13(10-16)8-6-12/h5-8,14H,2-4,9,11H2,1H3
InChIKeyMVENJFRBYLEYMF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide

2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide (PubChem CID 63611364) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide
PubChem CID63611364
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide
SMILESCN(CC1CCC1)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O/c1-17(11-14-3-2-4-14)15(18)9-12-5-7-13(10-16)8-6-12/h5-8,14H,2-4,9,11H2,1H3
InChIKeyMVENJFRBYLEYMF-UHFFFAOYSA-N
XLogP2.36
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide
CID 113231690
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide
CID 71874448
N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide
CID 166214843
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 110752415
2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 63957387
2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 78990662
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851
4-[[cyclobutylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62860429
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide (CID 63611364) is 2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide is CN(CC1CCC1)C(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide?
The InChIKey is MVENJFRBYLEYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(11-14-3-2-4-14)15(18)9-12-5-7-13(10-16)8-6-12/h5-8,14H,2-4,9,11H2,1H3.
What are the key properties of 2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide?
2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide has a molecular weight of 242.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide is sourced from PubChem (CID 63611364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).