1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea

C15H22N2O3 — CID 47264843

IUPAC1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCCOc1ccc(NC(=O)NCC2CCCO2)c(C)c1
InChIInChI=1S/C15H22N2O3/c1-3-19-12-6-7-14(11(2)9-12)17-15(18)16-10-13-5-4-8-20-13/h6-7,9,13H,3-5,8,10H2,1-2H3,(H2,16,17,18)
InChIKeyFMSHGOSGPWSUSU-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.69
Rot. Bonds5

About 1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea

1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 47264843) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID47264843
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCCOc1ccc(NC(=O)NCC2CCCO2)c(C)c1
InChIInChI=1S/C15H22N2O3/c1-3-19-12-6-7-14(11(2)9-12)17-15(18)16-10-13-5-4-8-20-13/h6-7,9,13H,3-5,8,10H2,1-2H3,(H2,16,17,18)
InChIKeyFMSHGOSGPWSUSU-UHFFFAOYSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840
N-[(2S)-butan-2-yl]-3-methyl-4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]benzamide
CID 95266901
N-[(2R)-butan-2-yl]-3-methyl-4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]benzamide
CID 95266898
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate
CID 5098025
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933023
1-(4-ethoxy-2-methylphenyl)-3-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525276

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea (CID 47264843) is 1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea is CCOc1ccc(NC(=O)NCC2CCCO2)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is FMSHGOSGPWSUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-19-12-6-7-14(11(2)9-12)17-15(18)16-10-13-5-4-8-20-13/h6-7,9,13H,3-5,8,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea?
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47264843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).