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

C18H22N2O — CID 108899084

IUPAC1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
SMILESCCN(Cc1ccccc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C18H22N2O/c1-3-20(14-17-7-5-4-6-8-17)18(21)19-13-16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,19,21)
InChIKeyINHPCXKYTIWQHF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.73
Rot. Bonds5

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

1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea (PubChem CID 108899084) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
PubChem CID108899084
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
SMILESCCN(Cc1ccccc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C18H22N2O/c1-3-20(14-17-7-5-4-6-8-17)18(21)19-13-16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,19,21)
InChIKeyINHPCXKYTIWQHF-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135445
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea
CID 38945345
5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105262
N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518112
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
4-N-benzyl-4-N-ethyl-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085931
N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118471

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea (CID 108899084) is 1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea is CCN(Cc1ccccc1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea?
The InChIKey is INHPCXKYTIWQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-20(14-17-7-5-4-6-8-17)18(21)19-13-16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,19,21).
What are the key properties of 1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea?
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea has a molecular weight of 282.39 g/mol, XLogP of 3.73, 5 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-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 108899084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).