1,1-dibenzyl-3-(2,6-diethylphenyl)urea

C25H28N2O — CID 3362690

IUPAC1,1-dibenzyl-3-(2,6-diethylphenyl)urea
SMILESCCc1cccc(CC)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H28N2O/c1-3-22-16-11-17-23(4-2)24(22)26-25(28)27(18-20-12-7-5-8-13-20)19-21-14-9-6-10-15-21/h5-17H,3-4,18-19H2,1-2H3,(H,26,28)
InChIKeyFFZSSNUSZPLNPW-UHFFFAOYSA-N
MW372.51 g/mol
LogP6.05
Rot. Bonds7

About 1,1-dibenzyl-3-(2,6-diethylphenyl)urea

1,1-dibenzyl-3-(2,6-diethylphenyl)urea (PubChem CID 3362690) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(2,6-diethylphenyl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(2,6-diethylphenyl)urea
PubChem CID3362690
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1,1-dibenzyl-3-(2,6-diethylphenyl)urea
SMILESCCc1cccc(CC)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H28N2O/c1-3-22-16-11-17-23(4-2)24(22)26-25(28)27(18-20-12-7-5-8-13-20)19-21-14-9-6-10-15-21/h5-17H,3-4,18-19H2,1-2H3,(H,26,28)
InChIKeyFFZSSNUSZPLNPW-UHFFFAOYSA-N
XLogP6.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.05
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-(2,6-diethylphenyl)urea?
The IUPAC name of 1,1-dibenzyl-3-(2,6-diethylphenyl)urea (CID 3362690) is 1,1-dibenzyl-3-(2,6-diethylphenyl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(2,6-diethylphenyl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(2,6-diethylphenyl)urea is CCc1cccc(CC)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-(2,6-diethylphenyl)urea?
The InChIKey is FFZSSNUSZPLNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-3-22-16-11-17-23(4-2)24(22)26-25(28)27(18-20-12-7-5-8-13-20)19-21-14-9-6-10-15-21/h5-17H,3-4,18-19H2,1-2H3,(H,26,28).
What are the key properties of 1,1-dibenzyl-3-(2,6-diethylphenyl)urea?
1,1-dibenzyl-3-(2,6-diethylphenyl)urea has a molecular weight of 372.51 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-(2,6-diethylphenyl)urea is sourced from PubChem (CID 3362690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).