1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea

C18H22N2O2 — CID 46577510

IUPAC1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-5-6-15(14(2)11-13)12-20(3)18(21)19-16-7-9-17(22-4)10-8-16/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyRRSFUZWTHVLLGE-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.98
Rot. Bonds4

About 1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea

1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea (PubChem CID 46577510) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
PubChem CID46577510
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-5-6-15(14(2)11-13)12-20(3)18(21)19-16-7-9-17(22-4)10-8-16/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyRRSFUZWTHVLLGE-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 32528960
2-[(4-methoxyphenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51226266
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9037765
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide
CID 9130769
N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide
CID 47033342
2-(N-ethyl-2,4-dimethylanilino)-N-(4-methoxyphenyl)acetamide
CID 60524860
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-methoxyphenyl)-1-methylurea
CID 30937905

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea (CID 46577510) is 1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea is COc1ccc(NC(=O)N(C)Cc2ccc(C)cc2C)cc1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea?
The InChIKey is RRSFUZWTHVLLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-5-6-15(14(2)11-13)12-20(3)18(21)19-16-7-9-17(22-4)10-8-16/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea?
1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea has a molecular weight of 298.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 46577510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).