2-[(4-cyanophenyl)methylamino]-N-methylpropanamide

C12H15N3O — CID 60918903

IUPAC2-[(4-cyanophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(C#N)cc1
InChIInChI=1S/C12H15N3O/c1-9(12(16)14-2)15-8-11-5-3-10(7-13)4-6-11/h3-6,9,15H,8H2,1-2H3,(H,14,16)
InChIKeyVSXRCDGLOBFWSS-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.78
Rot. Bonds4

About 2-[(4-cyanophenyl)methylamino]-N-methylpropanamide

2-[(4-cyanophenyl)methylamino]-N-methylpropanamide (PubChem CID 60918903) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylamino]-N-methylpropanamide
PubChem CID60918903
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[(4-cyanophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(C#N)cc1
InChIInChI=1S/C12H15N3O/c1-9(12(16)14-2)15-8-11-5-3-10(7-13)4-6-11/h3-6,9,15H,8H2,1-2H3,(H,14,16)
InChIKeyVSXRCDGLOBFWSS-UHFFFAOYSA-N
XLogP0.78
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-cyanophenyl)methylamino]-N-methylpropanamide
CID 93355745
N-butyl-2-[(4-cyanophenyl)methylamino]propanamide
CID 54936803
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
methyl 3-[(4-cyanophenyl)methylamino]-2-methylbutanoate
CID 79391314
2-[(4-cyanophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124792
4-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzonitrile
CID 79254098
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]benzonitrile
CID 103854827
2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(4-cyanophenyl)methylamino]-N-methylpropanamide (CID 60918903) is 2-[(4-cyanophenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylamino]-N-methylpropanamide?
The InChIKey is VSXRCDGLOBFWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(12(16)14-2)15-8-11-5-3-10(7-13)4-6-11/h3-6,9,15H,8H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4-cyanophenyl)methylamino]-N-methylpropanamide?
2-[(4-cyanophenyl)methylamino]-N-methylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 60918903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).