N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide

C13H17N3O — CID 62847790

IUPACN-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C13H17N3O/c1-13(2,15-3)12(17)16-9-11-6-4-10(8-14)5-7-11/h4-7,15H,9H2,1-3H3,(H,16,17)
InChIKeyMIJMMMKULMKMBO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.17
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide

N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 62847790) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide
PubChem CID62847790
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C13H17N3O/c1-13(2,15-3)12(17)16-9-11-6-4-10(8-14)5-7-11/h4-7,15H,9H2,1-3H3,(H,16,17)
InChIKeyMIJMMMKULMKMBO-UHFFFAOYSA-N
XLogP1.17
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847791
2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
CID 134035338
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-methyl-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 62847250
tert-butyl N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]carbamate
CID 46591116
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
2-amino-N-[(4-cyanophenyl)methyl]butanamide
CID 60918435
N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134035544
4-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]benzonitrile
CID 103911853
1-[(4-cyanophenyl)methyl]-3-(2-hydroxy-2-propylpentyl)urea
CID 111438165

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide (CID 62847790) is N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is MIJMMMKULMKMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,15-3)12(17)16-9-11-6-4-10(8-14)5-7-11/h4-7,15H,9H2,1-3H3,(H,16,17).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide?
N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 231.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62847790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).