4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide

C20H25N3O2 — CID 22149294

IUPAC4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide
SMILESCCOc1ccc(C(=O)N/C(N)=N/CCCCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-25-18-13-11-17(12-14-18)19(24)23-20(21)22-15-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H3,21,22,23,24)
InChIKeyDNCHCTMVAWUDIV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.15
Rot. Bonds8

About 4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide

4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide (PubChem CID 22149294) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide
PubChem CID22149294
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide
SMILESCCOc1ccc(C(=O)N/C(N)=N/CCCCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-25-18-13-11-17(12-14-18)19(24)23-20(21)22-15-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H3,21,22,23,24)
InChIKeyDNCHCTMVAWUDIV-UHFFFAOYSA-N
XLogP3.15
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[N'-(4-phenylbutyl)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-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide?
The IUPAC name of 4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide (CID 22149294) is 4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide is CCOc1ccc(C(=O)N/C(N)=N/CCCCc2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide?
The InChIKey is DNCHCTMVAWUDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-25-18-13-11-17(12-14-18)19(24)23-20(21)22-15-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H3,21,22,23,24).
What are the key properties of 4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide?
4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide is sourced from PubChem (CID 22149294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).