1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea

C14H22N2O3 — CID 111426760

IUPAC1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea
SMILESCOCC(O)CNC(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O3/c1-10-4-6-12(7-5-10)11(2)16-14(18)15-8-13(17)9-19-3/h4-7,11,13,17H,8-9H2,1-3H3,(H2,15,16,18)
InChIKeyXTWGTZFHIJURPZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.36
Rot. Bonds6

About 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea

1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea (PubChem CID 111426760) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea
PubChem CID111426760
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea
SMILESCOCC(O)CNC(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O3/c1-10-4-6-12(7-5-10)11(2)16-14(18)15-8-13(17)9-19-3/h4-7,11,13,17H,8-9H2,1-3H3,(H2,15,16,18)
InChIKeyXTWGTZFHIJURPZ-UHFFFAOYSA-N
XLogP1.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]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

1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426672
4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 82014749
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 110911346
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426788
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562
1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea
CID 97087832
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
CID 81357175
3-hydroxy-4-[1-(4-methylphenyl)ethylamino]butanoic acid
CID 103246096
2-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 104686435

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea (CID 111426760) is 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea is COCC(O)CNC(=O)NC(C)c1ccc(C)cc1.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea?
The InChIKey is XTWGTZFHIJURPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-4-6-12(7-5-10)11(2)16-14(18)15-8-13(17)9-19-3/h4-7,11,13,17H,8-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea?
1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea has a molecular weight of 266.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 111426760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).