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

C15H22N2O3 — CID 108909248

IUPAC1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
SMILESC=CNC(=O)NCCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H22N2O3/c1-4-16-15(18)17-10-9-12-7-8-13(19-5-2)14(11-12)20-6-3/h4,7-8,11H,1,5-6,9-10H2,2-3H3,(H2,16,17,18)
InChIKeyHRYQTSBSHKISEX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.47
Rot. Bonds8

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

1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea (PubChem CID 108909248) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea.

Molecular Properties

Compound Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
PubChem CID108909248
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
SMILESC=CNC(=O)NCCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H22N2O3/c1-4-16-15(18)17-10-9-12-7-8-13(19-5-2)14(11-12)20-6-3/h4,7-8,11H,1,5-6,9-10H2,2-3H3,(H2,16,17,18)
InChIKeyHRYQTSBSHKISEX-UHFFFAOYSA-N
XLogP2.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea 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-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
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
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905537
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea?
The IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea (CID 108909248) is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea.
What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea?
The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea is C=CNC(=O)NCCc1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea?
The InChIKey is HRYQTSBSHKISEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-16-15(18)17-10-9-12-7-8-13(19-5-2)14(11-12)20-6-3/h4,7-8,11H,1,5-6,9-10H2,2-3H3,(H2,16,17,18).
What are the key properties of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea?
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea has a molecular weight of 278.35 g/mol, XLogP of 2.47, 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-ethenylurea is sourced from PubChem (CID 108909248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).