1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea

C19H24N2O — CID 108891107

IUPAC1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
SMILESCCN(Cc1ccccc1)C(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C19H24N2O/c1-3-21(15-18-7-5-4-6-8-18)19(22)20-14-13-17-11-9-16(2)10-12-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyAZHFBYOMOXXNGU-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.77
Rot. Bonds6

About 1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea

1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108891107) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108891107
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
SMILESCCN(Cc1ccccc1)C(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C19H24N2O/c1-3-21(15-18-7-5-4-6-8-18)19(22)20-14-13-17-11-9-16(2)10-12-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyAZHFBYOMOXXNGU-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
CID 108887045
6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 61185010
1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea
CID 47075715
1,1,3-tris(2-phenylethyl)urea
CID 123287811
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108963223

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea (CID 108891107) is 1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea is CCN(Cc1ccccc1)C(=O)NCCc1ccc(C)cc1.
What is the InChIKey of 1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is AZHFBYOMOXXNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-21(15-18-7-5-4-6-8-18)19(22)20-14-13-17-11-9-16(2)10-12-17/h4-12H,3,13-15H2,1-2H3,(H,20,22).
What are the key properties of 1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea?
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 296.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108891107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).