1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea

C28H26N2O2 — CID 10971892

IUPAC1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea
SMILESCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H26N2O2/c1-30(27(23-13-7-3-8-14-23)21-22-11-5-2-6-12-22)28(31)29-24-17-19-26(20-18-24)32-25-15-9-4-10-16-25/h2-20,27H,21H2,1H3,(H,29,31)
InChIKeyHYZNDDWYTHIDIO-UHFFFAOYSA-N
MW422.53 g/mol
LogP6.93
Rot. Bonds7

About 1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea

1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea (PubChem CID 10971892) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea
PubChem CID10971892
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea
SMILESCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H26N2O2/c1-30(27(23-13-7-3-8-14-23)21-22-11-5-2-6-12-22)28(31)29-24-17-19-26(20-18-24)32-25-15-9-4-10-16-25/h2-20,27H,21H2,1H3,(H,29,31)
InChIKeyHYZNDDWYTHIDIO-UHFFFAOYSA-N
XLogP6.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea (CID 10971892) is 1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea is CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea?
The InChIKey is HYZNDDWYTHIDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-30(27(23-13-7-3-8-14-23)21-22-11-5-2-6-12-22)28(31)29-24-17-19-26(20-18-24)32-25-15-9-4-10-16-25/h2-20,27H,21H2,1H3,(H,29,31).
What are the key properties of 1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea?
1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea has a molecular weight of 422.53 g/mol, XLogP of 6.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 10971892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).