1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea

C18H22N2O — CID 108888129

IUPAC1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea
SMILESCc1ccc(CCNC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-7-9-17(10-8-15)12-14-20-18(21)19-13-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,19,20,21)
InChIKeyPKAIGBXXADDFOZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.08
Rot. Bonds6

About 1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea

1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea (PubChem CID 108888129) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea
PubChem CID108888129
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea
SMILESCc1ccc(CCNC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-7-9-17(10-8-15)12-14-20-18(21)19-13-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,19,20,21)
InChIKeyPKAIGBXXADDFOZ-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea (CID 108888129) is 1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea is Cc1ccc(CCNC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea?
The InChIKey is PKAIGBXXADDFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-7-9-17(10-8-15)12-14-20-18(21)19-13-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea?
1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea has a molecular weight of 282.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)ethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 108888129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).