1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea

C13H20N2O4 — CID 115169295

IUPAC1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCNC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H20N2O4/c1-14-13(16)15(2)8-9-6-10(17-3)12(19-5)11(7-9)18-4/h6-7H,8H2,1-5H3,(H,14,16)
InChIKeyYBKFFAMQJKCHRM-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.48
Rot. Bonds5

About 1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea

1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea (PubChem CID 115169295) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
PubChem CID115169295
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCNC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H20N2O4/c1-14-13(16)15(2)8-9-6-10(17-3)12(19-5)11(7-9)18-4/h6-7H,8H2,1-5H3,(H,14,16)
InChIKeyYBKFFAMQJKCHRM-UHFFFAOYSA-N
XLogP1.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095862
3-cyclohexyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095856
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222
3-amino-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115192837
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095826
N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 113095853
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea
CID 115169247
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
CID 115169536

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea (CID 115169295) is 1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea is CNC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea?
The InChIKey is YBKFFAMQJKCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-13(16)15(2)8-9-6-10(17-3)12(19-5)11(7-9)18-4/h6-7H,8H2,1-5H3,(H,14,16).
What are the key properties of 1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea?
1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea has a molecular weight of 268.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 115169295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).