1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea

C23H24N2O2 — CID 4167053

IUPAC1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24N2O2/c1-18-13-14-22(27-2)21(15-18)24-23(26)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyQENSTJKJSDMWLV-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.24
Rot. Bonds6

About 1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea

1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 4167053) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea
PubChem CID4167053
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24N2O2/c1-18-13-14-22(27-2)21(15-18)24-23(26)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyQENSTJKJSDMWLV-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea (CID 4167053) is 1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is QENSTJKJSDMWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-18-13-14-22(27-2)21(15-18)24-23(26)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of 1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea?
1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 360.46 g/mol, XLogP of 5.24, 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-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 4167053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).