3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide

C17H18N4O — CID 1121188

IUPAC3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C17H18N4O/c1-12(2)10-17(22)18-13-8-9-15-16(11-13)20-21(19-15)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H,18,22)
InChIKeyZGGJRWQEWLQLEB-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.41
Rot. Bonds4

About 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide

3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide (PubChem CID 1121188) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
PubChem CID1121188
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C17H18N4O/c1-12(2)10-17(22)18-13-8-9-15-16(11-13)20-21(19-15)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H,18,22)
InChIKeyZGGJRWQEWLQLEB-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide 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 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide (CID 1121188) is 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide is CC(C)CC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide?
The InChIKey is ZGGJRWQEWLQLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12(2)10-17(22)18-13-8-9-15-16(11-13)20-21(19-15)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H,18,22).
What are the key properties of 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide?
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide has a molecular weight of 294.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide is sourced from PubChem (CID 1121188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).