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

C25H28N2O3 — CID 1273904

IUPAC3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
SMILESCCOc1ccc(CCNC(=O)N(c2ccccc2)c2ccccc2)cc1OCC
InChIInChI=1S/C25H28N2O3/c1-3-29-23-16-15-20(19-24(23)30-4-2)17-18-26-25(28)27(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19H,3-4,17-18H2,1-2H3,(H,26,28)
InChIKeyJVIJRAZKNXQSLF-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.57
Rot. Bonds9

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

3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea (PubChem CID 1273904) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea.

Molecular Properties

Compound Name3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
PubChem CID1273904
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
SMILESCCOc1ccc(CCNC(=O)N(c2ccccc2)c2ccccc2)cc1OCC
InChIInChI=1S/C25H28N2O3/c1-3-29-23-16-15-20(19-24(23)30-4-2)17-18-26-25(28)27(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19H,3-4,17-18H2,1-2H3,(H,26,28)
InChIKeyJVIJRAZKNXQSLF-UHFFFAOYSA-N
XLogP5.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 8781311
1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108868804
N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
CID 141426633
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108891657

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea?
The IUPAC name of 3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea (CID 1273904) is 3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea.
What is the SMILES notation for 3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea?
The canonical SMILES for 3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea is CCOc1ccc(CCNC(=O)N(c2ccccc2)c2ccccc2)cc1OCC.
What is the InChIKey of 3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea?
The InChIKey is JVIJRAZKNXQSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-3-29-23-16-15-20(19-24(23)30-4-2)17-18-26-25(28)27(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19H,3-4,17-18H2,1-2H3,(H,26,28).
What are the key properties of 3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea?
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea has a molecular weight of 404.51 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea is sourced from PubChem (CID 1273904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).