1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea

C14H20N2O2 — CID 113322035

IUPAC1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
SMILESCc1ccccc1C(C)NC(=O)NC1CCOC1
InChIInChI=1S/C14H20N2O2/c1-10-5-3-4-6-13(10)11(2)15-14(17)16-12-7-8-18-9-12/h3-6,11-12H,7-9H2,1-2H3,(H2,15,16,17)
InChIKeyYHJWIMFGZVIDEY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds3

About 1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea

1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea (PubChem CID 113322035) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
PubChem CID113322035
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
SMILESCc1ccccc1C(C)NC(=O)NC1CCOC1
InChIInChI=1S/C14H20N2O2/c1-10-5-3-4-6-13(10)11(2)15-14(17)16-12-7-8-18-9-12/h3-6,11-12H,7-9H2,1-2H3,(H2,15,16,17)
InChIKeyYHJWIMFGZVIDEY-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
CID 115758270
4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238959
1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425430
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid
CID 113364462
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
N-[1-(2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119686030
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea (CID 113322035) is 1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea is Cc1ccccc1C(C)NC(=O)NC1CCOC1.
What is the InChIKey of 1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea?
The InChIKey is YHJWIMFGZVIDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-3-4-6-13(10)11(2)15-14(17)16-12-7-8-18-9-12/h3-6,11-12H,7-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea?
1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea has a molecular weight of 248.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 113322035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).