1,1-dibenzyl-3-(3,4-dimethylphenyl)urea

C23H24N2O — CID 3687938

IUPAC1,1-dibenzyl-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C
InChIInChI=1S/C23H24N2O/c1-18-13-14-22(15-19(18)2)24-23(26)25(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyBBCOEADOJWPHKO-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.54
Rot. Bonds5

About 1,1-dibenzyl-3-(3,4-dimethylphenyl)urea

1,1-dibenzyl-3-(3,4-dimethylphenyl)urea (PubChem CID 3687938) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(3,4-dimethylphenyl)urea
PubChem CID3687938
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name1,1-dibenzyl-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C
InChIInChI=1S/C23H24N2O/c1-18-13-14-22(15-19(18)2)24-23(26)25(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyBBCOEADOJWPHKO-UHFFFAOYSA-N
XLogP5.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1,1-dibenzyl-3-(3,4-dimethylphenyl)urea (CID 3687938) is 1,1-dibenzyl-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C.
What is the InChIKey of 1,1-dibenzyl-3-(3,4-dimethylphenyl)urea?
The InChIKey is BBCOEADOJWPHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-18-13-14-22(15-19(18)2)24-23(26)25(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of 1,1-dibenzyl-3-(3,4-dimethylphenyl)urea?
1,1-dibenzyl-3-(3,4-dimethylphenyl)urea has a molecular weight of 344.46 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 3687938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).