3-benzyl-1-methyl-1-(oxan-4-yl)urea

C14H20N2O2 — CID 103717227

IUPAC3-benzyl-1-methyl-1-(oxan-4-yl)urea
SMILESCN(C(=O)NCc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-16(13-7-9-18-10-8-13)14(17)15-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,17)
InChIKeyUOUNCWUYRQBNIX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds3

About 3-benzyl-1-methyl-1-(oxan-4-yl)urea

3-benzyl-1-methyl-1-(oxan-4-yl)urea (PubChem CID 103717227) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-benzyl-1-methyl-1-(oxan-4-yl)urea.

Molecular Properties

Compound Name3-benzyl-1-methyl-1-(oxan-4-yl)urea
PubChem CID103717227
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-benzyl-1-methyl-1-(oxan-4-yl)urea
SMILESCN(C(=O)NCc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-16(13-7-9-18-10-8-13)14(17)15-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,17)
InChIKeyUOUNCWUYRQBNIX-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
1-(4-aminocyclohexyl)-3-benzyl-1-methylurea
CID 107652884
1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
CID 71866432
1-methyl-1-(oxan-4-yl)-3-(quinolin-3-ylmethyl)urea
CID 119064073
1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride
CID 146064929
5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 82741959
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
CID 43611566
2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120794368
2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61203496
2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345726
3-benzyl-1-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-1-methylurea
CID 56985677
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-1-(oxan-4-yl)urea?
The IUPAC name of 3-benzyl-1-methyl-1-(oxan-4-yl)urea (CID 103717227) is 3-benzyl-1-methyl-1-(oxan-4-yl)urea.
What is the SMILES notation for 3-benzyl-1-methyl-1-(oxan-4-yl)urea?
The canonical SMILES for 3-benzyl-1-methyl-1-(oxan-4-yl)urea is CN(C(=O)NCc1ccccc1)C1CCOCC1.
What is the InChIKey of 3-benzyl-1-methyl-1-(oxan-4-yl)urea?
The InChIKey is UOUNCWUYRQBNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(13-7-9-18-10-8-13)14(17)15-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,17).
What are the key properties of 3-benzyl-1-methyl-1-(oxan-4-yl)urea?
3-benzyl-1-methyl-1-(oxan-4-yl)urea has a molecular weight of 248.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-1-(oxan-4-yl)urea is sourced from PubChem (CID 103717227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).