1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea

C15H22N2O3 — CID 47133756

IUPAC1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1ccc(OCCNC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-12-4-6-13(7-5-12)20-10-8-16-15(18)17-11-14-3-2-9-19-14/h4-7,14H,2-3,8-11H2,1H3,(H2,16,17,18)
InChIKeyOBUGLFCHTYKGET-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.85
Rot. Bonds6

About 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea

1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 47133756) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID47133756
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1ccc(OCCNC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-12-4-6-13(7-5-12)20-10-8-16-15(18)17-11-14-3-2-9-19-14/h4-7,14H,2-3,8-11H2,1H3,(H2,16,17,18)
InChIKeyOBUGLFCHTYKGET-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)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-[2-(4-methylsulfonylphenoxy)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95758235
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 112975611
1-(oxolan-2-ylmethyl)-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974257
1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975777
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 111136459
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136458
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 113214152
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111276800
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111829973
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyethyl)acetamide
CID 119684520

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea (CID 47133756) is 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea is Cc1ccc(OCCNC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is OBUGLFCHTYKGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-4-6-13(7-5-12)20-10-8-16-15(18)17-11-14-3-2-9-19-14/h4-7,14H,2-3,8-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea?
1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47133756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).