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

C13H20N2O — CID 115168718

IUPAC1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
SMILESCc1ccc(CCN(C)C(N)=O)c(C)c1C
InChIInChI=1S/C13H20N2O/c1-9-5-6-12(11(3)10(9)2)7-8-15(4)13(14)16/h5-6H,7-8H2,1-4H3,(H2,14,16)
InChIKeyFTWGEOJJOYYPGB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.16
Rot. Bonds3

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

1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea (PubChem CID 115168718) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
PubChem CID115168718
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
SMILESCc1ccc(CCN(C)C(N)=O)c(C)c1C
InChIInChI=1S/C13H20N2O/c1-9-5-6-12(11(3)10(9)2)7-8-15(4)13(14)16/h5-6H,7-8H2,1-4H3,(H2,14,16)
InChIKeyFTWGEOJJOYYPGB-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115176081
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
N-methyl-2-(methylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115152139
N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide
CID 116845038
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
N'-methyl-N'-[2-(2,3,4-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195540
4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol
CID 115217930
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide
CID 115192249
3-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]propanoic acid
CID 115218318
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea (CID 115168718) is 1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea is Cc1ccc(CCN(C)C(N)=O)c(C)c1C.
What is the InChIKey of 1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea?
The InChIKey is FTWGEOJJOYYPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-6-12(11(3)10(9)2)7-8-15(4)13(14)16/h5-6H,7-8H2,1-4H3,(H2,14,16).
What are the key properties of 1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea?
1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea has a molecular weight of 220.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea is sourced from PubChem (CID 115168718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).