1-(2-methoxyphenyl)-3-(2-phenylethyl)urea

C16H18N2O2 — CID 853786

IUPAC1-(2-methoxyphenyl)-3-(2-phenylethyl)urea
SMILESCOc1ccccc1NC(=O)NCCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-20-15-10-6-5-9-14(15)18-16(19)17-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyYCFKBCVBRJEUOW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-(2-phenylethyl)urea

1-(2-methoxyphenyl)-3-(2-phenylethyl)urea (PubChem CID 853786) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(2-phenylethyl)urea
PubChem CID853786
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(2-methoxyphenyl)-3-(2-phenylethyl)urea
SMILESCOc1ccccc1NC(=O)NCCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-20-15-10-6-5-9-14(15)18-16(19)17-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyYCFKBCVBRJEUOW-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(2-phenylethyl)urea (CID 853786) is 1-(2-methoxyphenyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(2-phenylethyl)urea is COc1ccccc1NC(=O)NCCc1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(2-phenylethyl)urea?
The InChIKey is YCFKBCVBRJEUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-15-10-6-5-9-14(15)18-16(19)17-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxyphenyl)-3-(2-phenylethyl)urea?
1-(2-methoxyphenyl)-3-(2-phenylethyl)urea has a molecular weight of 270.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 853786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).