1,1-dibenzyl-3-(3-methoxyphenyl)urea

C22H22N2O2 — CID 3411091

IUPAC1,1-dibenzyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-26-21-14-8-13-20(15-21)23-22(25)24(16-18-9-4-2-5-10-18)17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,23,25)
InChIKeyZWFACHSZQCZGDM-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.93
Rot. Bonds6

About 1,1-dibenzyl-3-(3-methoxyphenyl)urea

1,1-dibenzyl-3-(3-methoxyphenyl)urea (PubChem CID 3411091) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(3-methoxyphenyl)urea
PubChem CID3411091
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1,1-dibenzyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-26-21-14-8-13-20(15-21)23-22(25)24(16-18-9-4-2-5-10-18)17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,23,25)
InChIKeyZWFACHSZQCZGDM-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(3-methoxyphenyl)urea?
The IUPAC name of 1,1-dibenzyl-3-(3-methoxyphenyl)urea (CID 3411091) is 1,1-dibenzyl-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 1,1-dibenzyl-3-(3-methoxyphenyl)urea?
The InChIKey is ZWFACHSZQCZGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-21-14-8-13-20(15-21)23-22(25)24(16-18-9-4-2-5-10-18)17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,23,25).
What are the key properties of 1,1-dibenzyl-3-(3-methoxyphenyl)urea?
1,1-dibenzyl-3-(3-methoxyphenyl)urea has a molecular weight of 346.43 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 3411091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).