2-amino-N-benzylidene-3-methylbutanamide

C12H16N2O — CID 131737592

IUPAC2-amino-N-benzylidene-3-methylbutanamide
SMILESCC(C)C(N)C(=O)/N=C/c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(2)11(13)12(15)14-8-10-6-4-3-5-7-10/h3-9,11H,13H2,1-2H3/b14-8+
InChIKeySEPLJGOYTZPNGQ-RIYZIHGNSA-N
MW204.27 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-N-benzylidene-3-methylbutanamide

2-amino-N-benzylidene-3-methylbutanamide (PubChem CID 131737592) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-N-benzylidene-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-benzylidene-3-methylbutanamide
PubChem CID131737592
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-N-benzylidene-3-methylbutanamide
SMILESCC(C)C(N)C(=O)/N=C/c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(2)11(13)12(15)14-8-10-6-4-3-5-7-10/h3-9,11H,13H2,1-2H3/b14-8+
InChIKeySEPLJGOYTZPNGQ-RIYZIHGNSA-N
XLogP1.62
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-N-benzylidene-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzylidene-3-methylbutanamide?
The IUPAC name of 2-amino-N-benzylidene-3-methylbutanamide (CID 131737592) is 2-amino-N-benzylidene-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-benzylidene-3-methylbutanamide?
The canonical SMILES for 2-amino-N-benzylidene-3-methylbutanamide is CC(C)C(N)C(=O)/N=C/c1ccccc1.
What is the InChIKey of 2-amino-N-benzylidene-3-methylbutanamide?
The InChIKey is SEPLJGOYTZPNGQ-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(2)11(13)12(15)14-8-10-6-4-3-5-7-10/h3-9,11H,13H2,1-2H3/b14-8+.
What are the key properties of 2-amino-N-benzylidene-3-methylbutanamide?
2-amino-N-benzylidene-3-methylbutanamide has a molecular weight of 204.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzylidene-3-methylbutanamide is sourced from PubChem (CID 131737592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).