1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea

C19H24N2O3 — CID 3342378

IUPAC1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea
SMILESCCOc1ccc(CCNC(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C19H24N2O3/c1-3-23-17-11-10-15(14-18(17)24-4-2)12-13-20-19(22)21-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyXLHKCNDJFSTGET-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.85
Rot. Bonds8

About 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea

1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea (PubChem CID 3342378) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea
PubChem CID3342378
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea
SMILESCCOc1ccc(CCNC(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C19H24N2O3/c1-3-23-17-11-10-15(14-18(17)24-4-2)12-13-20-19(22)21-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyXLHKCNDJFSTGET-UHFFFAOYSA-N
XLogP3.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea 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 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea (CID 3342378) is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea is CCOc1ccc(CCNC(=O)Nc2ccccc2)cc1OCC.
What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea?
The InChIKey is XLHKCNDJFSTGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-23-17-11-10-15(14-18(17)24-4-2)12-13-20-19(22)21-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea?
1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea has a molecular weight of 328.41 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylurea is sourced from PubChem (CID 3342378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).