1-(3-methylphenyl)-3-(oxolan-2-yl)urea

C12H16N2O2 — CID 110706685

IUPAC1-(3-methylphenyl)-3-(oxolan-2-yl)urea
SMILESCc1cccc(NC(=O)NC2CCCO2)c1
InChIInChI=1S/C12H16N2O2/c1-9-4-2-5-10(8-9)13-12(15)14-11-6-3-7-16-11/h2,4-5,8,11H,3,6-7H2,1H3,(H2,13,14,15)
InChIKeyNVJDXUANSJKSMD-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.25
Rot. Bonds2

About 1-(3-methylphenyl)-3-(oxolan-2-yl)urea

1-(3-methylphenyl)-3-(oxolan-2-yl)urea (PubChem CID 110706685) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(oxolan-2-yl)urea
PubChem CID110706685
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(3-methylphenyl)-3-(oxolan-2-yl)urea
SMILESCc1cccc(NC(=O)NC2CCCO2)c1
InChIInChI=1S/C12H16N2O2/c1-9-4-2-5-10(8-9)13-12(15)14-11-6-3-7-16-11/h2,4-5,8,11H,3,6-7H2,1H3,(H2,13,14,15)
InChIKeyNVJDXUANSJKSMD-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea
CID 110706691
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
CID 93452802
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea
CID 55678475
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(oxolan-2-yl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(oxolan-2-yl)urea (CID 110706685) is 1-(3-methylphenyl)-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(oxolan-2-yl)urea is Cc1cccc(NC(=O)NC2CCCO2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(oxolan-2-yl)urea?
The InChIKey is NVJDXUANSJKSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-4-2-5-10(8-9)13-12(15)14-11-6-3-7-16-11/h2,4-5,8,11H,3,6-7H2,1H3,(H2,13,14,15).
What are the key properties of 1-(3-methylphenyl)-3-(oxolan-2-yl)urea?
1-(3-methylphenyl)-3-(oxolan-2-yl)urea has a molecular weight of 220.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(oxolan-2-yl)urea is sourced from PubChem (CID 110706685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).