3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea

C12H18N2O3 — CID 111431448

IUPAC3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCCOc1cccc(NC(=O)N(C)CCO)c1
InChIInChI=1S/C12H18N2O3/c1-3-17-11-6-4-5-10(9-11)13-12(16)14(2)7-8-15/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,16)
InChIKeyWNSYXLQEHMCBMP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.54
Rot. Bonds5

About 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea

3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 111431448) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
PubChem CID111431448
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCCOc1cccc(NC(=O)N(C)CCO)c1
InChIInChI=1S/C12H18N2O3/c1-3-17-11-6-4-5-10(9-11)13-12(16)14(2)7-8-15/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,16)
InChIKeyWNSYXLQEHMCBMP-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea 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

3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431118
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111431565
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 61341691
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107438347

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea (CID 111431448) is 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea is CCOc1cccc(NC(=O)N(C)CCO)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is WNSYXLQEHMCBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-11-6-4-5-10(9-11)13-12(16)14(2)7-8-15/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,16).
What are the key properties of 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 238.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 111431448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).