2-amino-N-(3-cyanophenyl)-N-methylpropanamide

C11H13N3O — CID 62981812

IUPAC2-amino-N-(3-cyanophenyl)-N-methylpropanamide
SMILESCC(N)C(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C11H13N3O/c1-8(13)11(15)14(2)10-5-3-4-9(6-10)7-12/h3-6,8H,13H2,1-2H3
InChIKeyHTVPTJHAALBIFM-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.87
Rot. Bonds2

About 2-amino-N-(3-cyanophenyl)-N-methylpropanamide

2-amino-N-(3-cyanophenyl)-N-methylpropanamide (PubChem CID 62981812) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-amino-N-(3-cyanophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanophenyl)-N-methylpropanamide
PubChem CID62981812
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-amino-N-(3-cyanophenyl)-N-methylpropanamide
SMILESCC(N)C(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C11H13N3O/c1-8(13)11(15)14(2)10-5-3-4-9(6-10)7-12/h3-6,8H,13H2,1-2H3
InChIKeyHTVPTJHAALBIFM-UHFFFAOYSA-N
XLogP0.87
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-N,2-dimethylpentanamide
CID 55151892
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
(2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride
CID 119305750
2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide
CID 62982606
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
N-(3-cyanophenyl)-N-methylazepane-1-carboxamide
CID 79152194
2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 79813224
3-[(3-amino-2-hydroxypropyl)-methylamino]benzonitrile
CID 62970802
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
1-(3-cyanophenyl)-3-(3-isocyanophenyl)-1,3-dimethylurea
CID 58283045

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanophenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-N-(3-cyanophenyl)-N-methylpropanamide (CID 62981812) is 2-amino-N-(3-cyanophenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-cyanophenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-cyanophenyl)-N-methylpropanamide is CC(N)C(=O)N(C)c1cccc(C#N)c1.
What is the InChIKey of 2-amino-N-(3-cyanophenyl)-N-methylpropanamide?
The InChIKey is HTVPTJHAALBIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(13)11(15)14(2)10-5-3-4-9(6-10)7-12/h3-6,8H,13H2,1-2H3.
What are the key properties of 2-amino-N-(3-cyanophenyl)-N-methylpropanamide?
2-amino-N-(3-cyanophenyl)-N-methylpropanamide has a molecular weight of 203.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanophenyl)-N-methylpropanamide is sourced from PubChem (CID 62981812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).