2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide

C13H14N4O — CID 114001896

IUPAC2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C13H14N4O/c1-2-9(6-14)13(18)17-12-4-3-10(7-15)11(5-12)8-16/h3-5,9H,2,6,14H2,1H3,(H,17,18)
InChIKeyVIWSYDWEIGTARW-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.35
Rot. Bonds4

About 2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide

2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide (PubChem CID 114001896) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide
PubChem CID114001896
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C13H14N4O/c1-2-9(6-14)13(18)17-12-4-3-10(7-15)11(5-12)8-16/h3-5,9H,2,6,14H2,1H3,(H,17,18)
InChIKeyVIWSYDWEIGTARW-UHFFFAOYSA-N
XLogP1.35
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide
CID 107790450
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
N-(3,4-dicyanophenyl)acetamide
CID 12938829
2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 65225076
N-[3-cyano-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-ethylbutanamide;hydrochloride
CID 70510770
2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide
CID 65225395
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
N-(3,4-dicyanophenyl)pentanamide
CID 113240271
3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
CID 107790582

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide (CID 114001896) is 2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide is CCC(CN)C(=O)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide?
The InChIKey is VIWSYDWEIGTARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-9(6-14)13(18)17-12-4-3-10(7-15)11(5-12)8-16/h3-5,9H,2,6,14H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide?
2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide has a molecular weight of 242.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide is sourced from PubChem (CID 114001896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).