2-(4-methoxy-3,5-dimethylphenyl)ethylurea

C12H18N2O2 — CID 115168574

IUPAC2-(4-methoxy-3,5-dimethylphenyl)ethylurea
SMILESCOc1c(C)cc(CCNC(N)=O)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-6-10(4-5-14-12(13)15)7-9(2)11(8)16-3/h6-7H,4-5H2,1-3H3,(H3,13,14,15)
InChIKeyZTSNAGIHEBGZBR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.52
Rot. Bonds4

About 2-(4-methoxy-3,5-dimethylphenyl)ethylurea

2-(4-methoxy-3,5-dimethylphenyl)ethylurea (PubChem CID 115168574) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)ethylurea.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)ethylurea
PubChem CID115168574
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)ethylurea
SMILESCOc1c(C)cc(CCNC(N)=O)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-6-10(4-5-14-12(13)15)7-9(2)11(8)16-3/h6-7H,4-5H2,1-3H3,(H3,13,14,15)
InChIKeyZTSNAGIHEBGZBR-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
CID 115169411
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-2-one
CID 115235985
[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
CID 115229389
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
CID 115168578
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
CID 115192109
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide
CID 115192259
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674
2-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133609
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)ethylurea?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)ethylurea (CID 115168574) is 2-(4-methoxy-3,5-dimethylphenyl)ethylurea.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)ethylurea?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)ethylurea is COc1c(C)cc(CCNC(N)=O)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)ethylurea?
The InChIKey is ZTSNAGIHEBGZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-10(4-5-14-12(13)15)7-9(2)11(8)16-3/h6-7H,4-5H2,1-3H3,(H3,13,14,15).
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)ethylurea?
2-(4-methoxy-3,5-dimethylphenyl)ethylurea has a molecular weight of 222.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)ethylurea is sourced from PubChem (CID 115168574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).