1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea

C13H20N2O4 — CID 115169404

IUPAC1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCNC(=O)NCCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H20N2O4/c1-14-13(16)15-6-5-9-7-11(18-3)12(19-4)8-10(9)17-2/h7-8H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyLSBBZJAMJCMHDS-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.18
Rot. Bonds6

About 1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea

1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 115169404) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID115169404
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCNC(=O)NCCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H20N2O4/c1-14-13(16)15-6-5-9-7-11(18-3)12(19-4)8-10(9)17-2/h7-8H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyLSBBZJAMJCMHDS-UHFFFAOYSA-N
XLogP1.18
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217295
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217263
1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217327
1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217348
1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217307
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291
1-amino-3-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 115192926
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylurea
CID 115169112
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
CID 115169411

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (CID 115169404) is 1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is CNC(=O)NCCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is LSBBZJAMJCMHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-13(16)15-6-5-9-7-11(18-3)12(19-4)8-10(9)17-2/h7-8H,5-6H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 268.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 115169404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).