2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide

C14H19N3O — CID 76887376

IUPAC2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-14(2,3)12(16)13(18)17-9-11-6-4-5-10(7-11)8-15/h4-7,12H,9,16H2,1-3H3,(H,17,18)
InChIKeyHTGYUVLJVBPKCF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide

2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide (PubChem CID 76887376) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide
PubChem CID76887376
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-14(2,3)12(16)13(18)17-9-11-6-4-5-10(7-11)8-15/h4-7,12H,9,16H2,1-3H3,(H,17,18)
InChIKeyHTGYUVLJVBPKCF-UHFFFAOYSA-N
XLogP1.55
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
CID 76894229
2-cyano-N-[(3-cyanophenyl)methyl]-3-methylbutanamide
CID 62312798
N-[(3-cyanophenyl)methyl]-2-sulfanylpropanamide
CID 107028199
2-cyano-N-[(3-cyanophenyl)methyl]-2-methylpropanamide
CID 61059964
(2S)-2-amino-3,3-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119679736
N-[(3-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847791
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 103716734
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
(2R)-2-[(3-cyanophenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 79010002
(2S)-2-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119746713
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 119769412

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide (CID 76887376) is 2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCc1cccc(C#N)c1.
What is the InChIKey of 2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is HTGYUVLJVBPKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)12(16)13(18)17-9-11-6-4-5-10(7-11)8-15/h4-7,12H,9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide?
2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 245.33 g/mol, XLogP of 1.55, 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)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76887376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).