1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea

C17H20N2O — CID 108988864

IUPAC1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
SMILESCc1ccc(NC(=O)N(C)Cc2ccccc2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-13-9-10-16(14(2)11-13)18-17(20)19(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyFZVSWAJHPNRFOB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.97
Rot. Bonds3

About 1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea

1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea (PubChem CID 108988864) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
PubChem CID108988864
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
SMILESCc1ccc(NC(=O)N(C)Cc2ccccc2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-13-9-10-16(14(2)11-13)18-17(20)19(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyFZVSWAJHPNRFOB-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N'-benzyl-1-N-(2,4-dimethylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975549
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084
1-benzyl-3-(2,4-dimethylphenyl)-1-octadecylurea
CID 154191574
1-benzyl-3-(2,4-dimethylphenyl)-1-undecylurea
CID 15137562
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
1-benzyl-2-(2,4-dimethylphenyl)-1-methylhydrazine
CID 57180134
1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea
CID 15137572
2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109256795
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea
CID 108988904
N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986380
N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide
CID 108946169

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea?
The IUPAC name of 1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea (CID 108988864) is 1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea.
What is the SMILES notation for 1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea?
The canonical SMILES for 1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea is Cc1ccc(NC(=O)N(C)Cc2ccccc2)c(C)c1.
What is the InChIKey of 1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea?
The InChIKey is FZVSWAJHPNRFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-9-10-16(14(2)11-13)18-17(20)19(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea?
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea has a molecular weight of 268.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea is sourced from PubChem (CID 108988864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).