3-(3-cyanophenyl)-N-methylpropanamide

C11H12N2O — CID 118907091

IUPAC3-(3-cyanophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(C#N)c1
InChIInChI=1S/C11H12N2O/c1-13-11(14)6-5-9-3-2-4-10(7-9)8-12/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyAAVUKEVYCXHKNW-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.24
Rot. Bonds3

About 3-(3-cyanophenyl)-N-methylpropanamide

3-(3-cyanophenyl)-N-methylpropanamide (PubChem CID 118907091) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-N-methylpropanamide
PubChem CID118907091
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(3-cyanophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(C#N)c1
InChIInChI=1S/C11H12N2O/c1-13-11(14)6-5-9-3-2-4-10(7-9)8-12/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyAAVUKEVYCXHKNW-UHFFFAOYSA-N
XLogP1.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-cyanophenyl)methylamino]-N-methylacetamide
CID 43214956
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
4-(3-cyanophenyl)-2-methylidenebutanoic acid
CID 68515092
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide
CID 70138927
N-methyl-3-(3-propan-2-ylphenyl)propanamide
CID 122496353
3-propylbenzonitrile
CID 18415311
3-(2-hydroxyethyl)benzonitrile
CID 14926727
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460
benzonitrile;N-methylpropanamide
CID 174788943
N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
CID 78965143
N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide
CID 50949015

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-N-methylpropanamide?
The IUPAC name of 3-(3-cyanophenyl)-N-methylpropanamide (CID 118907091) is 3-(3-cyanophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-cyanophenyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-cyanophenyl)-N-methylpropanamide is CNC(=O)CCc1cccc(C#N)c1.
What is the InChIKey of 3-(3-cyanophenyl)-N-methylpropanamide?
The InChIKey is AAVUKEVYCXHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13-11(14)6-5-9-3-2-4-10(7-9)8-12/h2-4,7H,5-6H2,1H3,(H,13,14).
What are the key properties of 3-(3-cyanophenyl)-N-methylpropanamide?
3-(3-cyanophenyl)-N-methylpropanamide has a molecular weight of 188.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-N-methylpropanamide is sourced from PubChem (CID 118907091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).