4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide

C17H19N3O — CID 22149251

IUPAC4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide
SMILESCc1ccc(C(=O)N/C(N)=N/CCc2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c1-13-7-9-15(10-8-13)16(21)20-17(18)19-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H3,18,19,20,21)
InChIKeyZVURELUSYUBEQF-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.28
Rot. Bonds4

About 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide

4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide (PubChem CID 22149251) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide
PubChem CID22149251
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide
SMILESCc1ccc(C(=O)N/C(N)=N/CCc2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c1-13-7-9-15(10-8-13)16(21)20-17(18)19-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H3,18,19,20,21)
InChIKeyZVURELUSYUBEQF-UHFFFAOYSA-N
XLogP2.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide 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 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide?
The IUPAC name of 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide (CID 22149251) is 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide.
What is the SMILES notation for 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide?
The canonical SMILES for 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide is Cc1ccc(C(=O)N/C(N)=N/CCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide?
The InChIKey is ZVURELUSYUBEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-7-9-15(10-8-13)16(21)20-17(18)19-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H3,18,19,20,21).
What are the key properties of 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide?
4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide is sourced from PubChem (CID 22149251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).