1-methyl-1-(2,4,5-trimethoxyphenyl)urea

C11H16N2O4 — CID 115168286

IUPAC1-methyl-1-(2,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(OC)c(N(C)C(N)=O)cc1OC
InChIInChI=1S/C11H16N2O4/c1-13(11(12)14)7-5-9(16-3)10(17-4)6-8(7)15-2/h5-6H,1-4H3,(H2,12,14)
InChIKeyIGDQGIXCDAZUJZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.23
Rot. Bonds4

About 1-methyl-1-(2,4,5-trimethoxyphenyl)urea

1-methyl-1-(2,4,5-trimethoxyphenyl)urea (PubChem CID 115168286) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-methyl-1-(2,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2,4,5-trimethoxyphenyl)urea
PubChem CID115168286
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-methyl-1-(2,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(OC)c(N(C)C(N)=O)cc1OC
InChIInChI=1S/C11H16N2O4/c1-13(11(12)14)7-5-9(16-3)10(17-4)6-8(7)15-2/h5-6H,1-4H3,(H2,12,14)
InChIKeyIGDQGIXCDAZUJZ-UHFFFAOYSA-N
XLogP1.23
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-methyl-N-(2,4,5-trimethoxyphenyl)formamide
CID 115172074
1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea
CID 115168288
N-(2-methoxy-4,5-dimethylphenyl)-N-methylacetamide
CID 115190996
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166080
N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide
CID 115191083
(4,5-dimethoxy-2-methylphenyl)-methylcarbamothioic S-acid
CID 115169847
N-(4,5-dimethoxy-2-methylphenyl)-N-methylcarbamoyl bromide
CID 115193445
N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine
CID 115226740
2-hydroxy-N-(2-methoxy-4,5-dimethylphenyl)-N,2-dimethylpropanamide
CID 115178640
1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea
CID 115168292
1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 70036732

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-methyl-1-(2,4,5-trimethoxyphenyl)urea (CID 115168286) is 1-methyl-1-(2,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-methyl-1-(2,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-methyl-1-(2,4,5-trimethoxyphenyl)urea is COc1cc(OC)c(N(C)C(N)=O)cc1OC.
What is the InChIKey of 1-methyl-1-(2,4,5-trimethoxyphenyl)urea?
The InChIKey is IGDQGIXCDAZUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-13(11(12)14)7-5-9(16-3)10(17-4)6-8(7)15-2/h5-6H,1-4H3,(H2,12,14).
What are the key properties of 1-methyl-1-(2,4,5-trimethoxyphenyl)urea?
1-methyl-1-(2,4,5-trimethoxyphenyl)urea has a molecular weight of 240.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 115168286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).