1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea

C24H26N2O — CID 3835143

IUPAC1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O/c1-3-22-16-10-11-19(2)23(22)25-24(27)26(17-20-12-6-4-7-13-20)18-21-14-8-5-9-15-21/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeyUTEJXRQVGZWKEU-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.79
Rot. Bonds6

About 1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea

1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea (PubChem CID 3835143) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea
PubChem CID3835143
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O/c1-3-22-16-10-11-19(2)23(22)25-24(27)26(17-20-12-6-4-7-13-20)18-21-14-8-5-9-15-21/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeyUTEJXRQVGZWKEU-UHFFFAOYSA-N
XLogP5.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122274
1-[(3-cyanophenyl)methyl]-3-(2-ethyl-6-methylphenyl)-1-methylurea
CID 86986474
1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea
CID 46229406
2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126139068
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide
CID 113152755
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea?
The IUPAC name of 1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea (CID 3835143) is 1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea is CCc1cccc(C)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea?
The InChIKey is UTEJXRQVGZWKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-3-22-16-10-11-19(2)23(22)25-24(27)26(17-20-12-6-4-7-13-20)18-21-14-8-5-9-15-21/h4-16H,3,17-18H2,1-2H3,(H,25,27).
What are the key properties of 1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea?
1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea has a molecular weight of 358.49 g/mol, XLogP of 5.79, 6 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-ethyl-6-methylphenyl)urea is sourced from PubChem (CID 3835143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).