4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide

C13H17N3O — CID 81079299

IUPAC4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)c1ccccc1C#N
InChIInChI=1S/C13H17N3O/c1-10(8-14)7-13(17)16(2)12-6-4-3-5-11(12)9-15/h3-6,10H,7-8,14H2,1-2H3
InChIKeyVZOORUBOEFZOBY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide

4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide (PubChem CID 81079299) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
PubChem CID81079299
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)c1ccccc1C#N
InChIInChI=1S/C13H17N3O/c1-10(8-14)7-13(17)16(2)12-6-4-3-5-11(12)9-15/h3-6,10H,7-8,14H2,1-2H3
InChIKeyVZOORUBOEFZOBY-UHFFFAOYSA-N
XLogP1.51
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 115432690
ethyl 2-(2-cyano-N-methylanilino)pentanoate
CID 83041345
4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
methyl 2-(2-cyano-N-methylanilino)-2-oxoacetate
CID 112617468
(2S)-2-[[(2-cyanophenyl)-methylcarbamoyl]amino]pentanoic acid
CID 107567318
2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551916
4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide
CID 81087068
2-[butan-2-yl(methyl)amino]benzonitrile
CID 43273059
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
2-(2-cyano-N-methylanilino)pentanehydrazide
CID 83046795

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide (CID 81079299) is 4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide is CC(CN)CC(=O)N(C)c1ccccc1C#N.
What is the InChIKey of 4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide?
The InChIKey is VZOORUBOEFZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(8-14)7-13(17)16(2)12-6-4-3-5-11(12)9-15/h3-6,10H,7-8,14H2,1-2H3.
What are the key properties of 4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide?
4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide has a molecular weight of 231.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 81079299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).