1-benzyl-1-methyl-3-(oxolan-3-yl)urea

C13H18N2O2 — CID 115759352

IUPAC1-benzyl-1-methyl-3-(oxolan-3-yl)urea
SMILESCN(Cc1ccccc1)C(=O)NC1CCOC1
InChIInChI=1S/C13H18N2O2/c1-15(9-11-5-3-2-4-6-11)13(16)14-12-7-8-17-10-12/h2-6,12H,7-10H2,1H3,(H,14,16)
InChIKeyBMMCMRSRCRWMSM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.62
Rot. Bonds3

About 1-benzyl-1-methyl-3-(oxolan-3-yl)urea

1-benzyl-1-methyl-3-(oxolan-3-yl)urea (PubChem CID 115759352) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-methyl-3-(oxolan-3-yl)urea
PubChem CID115759352
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-benzyl-1-methyl-3-(oxolan-3-yl)urea
SMILESCN(Cc1ccccc1)C(=O)NC1CCOC1
InChIInChI=1S/C13H18N2O2/c1-15(9-11-5-3-2-4-6-11)13(16)14-12-7-8-17-10-12/h2-6,12H,7-10H2,1H3,(H,14,16)
InChIKeyBMMCMRSRCRWMSM-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
3-(1-benzylpiperidin-4-yl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 55457360
1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea
CID 51111526
1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea
CID 97219103
1-[(4-aminophenyl)methyl]-3-cyclopropyl-1-methylurea
CID 62699468
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216968
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760744
1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea
CID 113322013
N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 112992423
N-[(3S)-oxolan-3-yl]-2,2-diphenylacetamide
CID 96601820

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methyl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-benzyl-1-methyl-3-(oxolan-3-yl)urea (CID 115759352) is 1-benzyl-1-methyl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-benzyl-1-methyl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-benzyl-1-methyl-3-(oxolan-3-yl)urea is CN(Cc1ccccc1)C(=O)NC1CCOC1.
What is the InChIKey of 1-benzyl-1-methyl-3-(oxolan-3-yl)urea?
The InChIKey is BMMCMRSRCRWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(9-11-5-3-2-4-6-11)13(16)14-12-7-8-17-10-12/h2-6,12H,7-10H2,1H3,(H,14,16).
What are the key properties of 1-benzyl-1-methyl-3-(oxolan-3-yl)urea?
1-benzyl-1-methyl-3-(oxolan-3-yl)urea has a molecular weight of 234.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methyl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).