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

C12H15N3O — CID 79796861

IUPAC2-amino-N-(3-cyanophenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C12H15N3O/c1-3-12(2,14)11(16)15-10-6-4-5-9(7-10)8-13/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeySOKJMYBIAPHHPU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.62
Rot. Bonds3

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

2-amino-N-(3-cyanophenyl)-2-methylbutanamide (PubChem CID 79796861) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-N-(3-cyanophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanophenyl)-2-methylbutanamide
PubChem CID79796861
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-amino-N-(3-cyanophenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C12H15N3O/c1-3-12(2,14)11(16)15-10-6-4-5-9(7-10)8-13/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeySOKJMYBIAPHHPU-UHFFFAOYSA-N
XLogP1.62
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
N-(3-cyanophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965790
3-(3-cyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82820785
N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
CID 108968587
2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 79797513
2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
CID 60847163
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
N-butan-2-yl-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108958336
2-amino-2-methyl-N-(3-nitrophenyl)butanamide
CID 79797596
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
S-methyl N-(3-cyanophenyl)carbamothioate
CID 134122988
2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 79797461

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanophenyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(3-cyanophenyl)-2-methylbutanamide (CID 79796861) is 2-amino-N-(3-cyanophenyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(3-cyanophenyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(3-cyanophenyl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-amino-N-(3-cyanophenyl)-2-methylbutanamide?
The InChIKey is SOKJMYBIAPHHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-12(2,14)11(16)15-10-6-4-5-9(7-10)8-13/h4-7H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(3-cyanophenyl)-2-methylbutanamide?
2-amino-N-(3-cyanophenyl)-2-methylbutanamide has a molecular weight of 217.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanophenyl)-2-methylbutanamide is sourced from PubChem (CID 79796861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).