1-(4-methoxyphenyl)-3-(1-phenylethyl)urea

C16H18N2O2 — CID 2837289

IUPAC1-(4-methoxyphenyl)-3-(1-phenylethyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12(13-6-4-3-5-7-13)17-16(19)18-14-8-10-15(20-2)11-9-14/h3-12H,1-2H3,(H2,17,18,19)
InChIKeyDKBGDVKITVBKPN-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.58
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(1-phenylethyl)urea

1-(4-methoxyphenyl)-3-(1-phenylethyl)urea (PubChem CID 2837289) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1-phenylethyl)urea
PubChem CID2837289
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(4-methoxyphenyl)-3-(1-phenylethyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12(13-6-4-3-5-7-13)17-16(19)18-14-8-10-15(20-2)11-9-14/h3-12H,1-2H3,(H2,17,18,19)
InChIKeyDKBGDVKITVBKPN-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1-phenylethyl)urea (CID 2837289) is 1-(4-methoxyphenyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1-phenylethyl)urea is COc1ccc(NC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1-phenylethyl)urea?
The InChIKey is DKBGDVKITVBKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(13-6-4-3-5-7-13)17-16(19)18-14-8-10-15(20-2)11-9-14/h3-12H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-methoxyphenyl)-3-(1-phenylethyl)urea?
1-(4-methoxyphenyl)-3-(1-phenylethyl)urea has a molecular weight of 270.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 2837289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).