1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea

C14H20N2O2 — CID 3764609

IUPAC1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCCc1ccccc1NC(=O)NCC1CCCO1
InChIInChI=1S/C14H20N2O2/c1-2-11-6-3-4-8-13(11)16-14(17)15-10-12-7-5-9-18-12/h3-4,6,8,12H,2,5,7,9-10H2,1H3,(H2,15,16,17)
InChIKeyDMRNERYPMNBQJT-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea

1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 3764609) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID3764609
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCCc1ccccc1NC(=O)NCC1CCCO1
InChIInChI=1S/C14H20N2O2/c1-2-11-6-3-4-8-13(11)16-14(17)15-10-12-7-5-9-18-12/h3-4,6,8,12H,2,5,7,9-10H2,1H3,(H2,15,16,17)
InChIKeyDMRNERYPMNBQJT-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethylphenyl)-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-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032264
(2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 7166018
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea
CID 60729327
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428385
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
N-(2-ethylphenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9218376

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea (CID 3764609) is 1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea is CCc1ccccc1NC(=O)NCC1CCCO1.
What is the InChIKey of 1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is DMRNERYPMNBQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-11-6-3-4-8-13(11)16-14(17)15-10-12-7-5-9-18-12/h3-4,6,8,12H,2,5,7,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea?
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 248.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 3764609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).