2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide

C16H21N3O2 — CID 134054757

IUPAC2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)Cc1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-11(2)15(18-12(3)20)16(21)19(4)10-14-7-5-13(9-17)6-8-14/h5-8,11,15H,10H2,1-4H3,(H,18,20)
InChIKeyGUWZTHZGHCHMQY-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.68
Rot. Bonds5

About 2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide

2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 134054757) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide
PubChem CID134054757
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)Cc1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-11(2)15(18-12(3)20)16(21)19(4)10-14-7-5-13(9-17)6-8-14/h5-8,11,15H,10H2,1-4H3,(H,18,20)
InChIKeyGUWZTHZGHCHMQY-UHFFFAOYSA-N
XLogP1.68
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide
CID 55586552
N-[1-[(4-cyanophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 134054747
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethylbutanamide
CID 78800990
2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide
CID 18116972
N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 134004262
3-amino-N-[(4-cyanophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106112028
2-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-methylpropanamide
CID 81082817
(2R)-3-[benzyl(methyl)amino]-2-[(4-cyanophenyl)methyl]-3-oxopropanoic acid
CID 23519941

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide (CID 134054757) is 2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide is CC(=O)NC(C(=O)N(C)Cc1ccc(C#N)cc1)C(C)C.
What is the InChIKey of 2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is GUWZTHZGHCHMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)15(18-12(3)20)16(21)19(4)10-14-7-5-13(9-17)6-8-14/h5-8,11,15H,10H2,1-4H3,(H,18,20).
What are the key properties of 2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide?
2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 287.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 134054757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).