3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide

C13H14N4O — CID 107790582

IUPAC3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C13H14N4O/c1-13(2,16)6-12(18)17-11-4-3-9(7-14)10(5-11)8-15/h3-5H,6,16H2,1-2H3,(H,17,18)
InChIKeyWWUYDKKBEQZXPX-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.50
Rot. Bonds3

About 3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide

3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide (PubChem CID 107790582) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
PubChem CID107790582
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C13H14N4O/c1-13(2,16)6-12(18)17-11-4-3-9(7-14)10(5-11)8-15/h3-5H,6,16H2,1-2H3,(H,17,18)
InChIKeyWWUYDKKBEQZXPX-UHFFFAOYSA-N
XLogP1.50
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 65483573
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
N-(3,4-dicyanophenyl)acetamide
CID 12938829
N-(3,4-dicyanophenyl)pentanamide
CID 113240271
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
3-(3,4-dicyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 107792663
3-[(3-amino-3-methylbutanoyl)amino]benzoic acid
CID 64677151
2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide
CID 107790753
5-bromo-N-(3,4-dicyanophenyl)pentanamide
CID 114014947
N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide
CID 64684853
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
methyl 3-[(3-amino-3-methylbutanoyl)amino]benzoate
CID 64679224

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide (CID 107790582) is 3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide is CC(C)(N)CC(=O)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide?
The InChIKey is WWUYDKKBEQZXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-13(2,16)6-12(18)17-11-4-3-9(7-14)10(5-11)8-15/h3-5H,6,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide?
3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide has a molecular weight of 242.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide is sourced from PubChem (CID 107790582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).