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

C18H22N2O2 — CID 108899087

IUPAC1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-15-7-9-16(10-8-15)13-19-18(22)20(11-12-21)14-17-5-3-2-4-6-17/h2-10,21H,11-14H2,1H3,(H,19,22)
InChIKeyJBRSSUJFMLUYKL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.70
Rot. Bonds6

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

1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 108899087) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID108899087
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-15-7-9-16(10-8-15)13-19-18(22)20(11-12-21)14-17-5-3-2-4-6-17/h2-10,21H,11-14H2,1H3,(H,19,22)
InChIKeyJBRSSUJFMLUYKL-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518112
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
4-(acetamidomethyl)-N-benzyl-N-(2-hydroxyethyl)benzamide
CID 110880403
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507733
1-(2-hydroxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-methylphenyl)methyl]urea
CID 84600281
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896144
4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028172
3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 1462381
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea (CID 108899087) is 1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)N(CCO)Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is JBRSSUJFMLUYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-15-7-9-16(10-8-15)13-19-18(22)20(11-12-21)14-17-5-3-2-4-6-17/h2-10,21H,11-14H2,1H3,(H,19,22).
What are the key properties of 1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea?
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 298.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 108899087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).