3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea

C13H20N2O4 — CID 108869470

IUPAC3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20N2O4/c1-4-15(5-6-16)13(17)14-10-7-11(18-2)9-12(8-10)19-3/h7-9,16H,4-6H2,1-3H3,(H,14,17)
InChIKeyRIDPVCDVVSEQPX-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.55
Rot. Bonds6

About 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea

3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 108869470) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID108869470
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20N2O4/c1-4-15(5-6-16)13(17)14-10-7-11(18-2)9-12(8-10)19-3/h7-9,16H,4-6H2,1-3H3,(H,14,17)
InChIKeyRIDPVCDVVSEQPX-UHFFFAOYSA-N
XLogP1.55
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea 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

N-(3,5-dimethoxyphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 37095514
3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 71986327
3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110930823
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 60510265
2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
CID 110890910
3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea
CID 91733734
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
CID 108869515

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea (CID 108869470) is 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is RIDPVCDVVSEQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-15(5-6-16)13(17)14-10-7-11(18-2)9-12(8-10)19-3/h7-9,16H,4-6H2,1-3H3,(H,14,17).
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 268.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 108869470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).