1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea

C12H18N2O3 — CID 110933093

IUPAC1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCCCO)c(C)c1
InChIInChI=1S/C12H18N2O3/c1-9-8-10(17-2)4-5-11(9)14-12(16)13-6-3-7-15/h4-5,8,15H,3,6-7H2,1-2H3,(H2,13,14,16)
InChIKeyRSXLGLJPJOMAHU-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.51
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea

1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 110933093) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
PubChem CID110933093
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCCCO)c(C)c1
InChIInChI=1S/C12H18N2O3/c1-9-8-10(17-2)4-5-11(9)14-12(16)13-6-3-7-15/h4-5,8,15H,3,6-7H2,1-2H3,(H2,13,14,16)
InChIKeyRSXLGLJPJOMAHU-UHFFFAOYSA-N
XLogP1.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)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-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
CID 119026718
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 47326596
2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 62871905
1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea
CID 111431598
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea (CID 110933093) is 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)NCCCO)c(C)c1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is RSXLGLJPJOMAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-8-10(17-2)4-5-11(9)14-12(16)13-6-3-7-15/h4-5,8,15H,3,6-7H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea?
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 238.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 110933093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).