2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea

C13H20N2O2 — CID 115168578

IUPAC2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
SMILESCOc1cc(C)c(CCNC(N)=O)c(C)c1C
InChIInChI=1S/C13H20N2O2/c1-8-7-12(17-4)10(3)9(2)11(8)5-6-15-13(14)16/h7H,5-6H2,1-4H3,(H3,14,15,16)
InChIKeyWPINFIIWFJFPOV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.83
Rot. Bonds4

About 2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea

2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea (PubChem CID 115168578) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea.

Molecular Properties

Compound Name2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
PubChem CID115168578
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
SMILESCOc1cc(C)c(CCNC(N)=O)c(C)c1C
InChIInChI=1S/C13H20N2O2/c1-8-7-12(17-4)10(3)9(2)11(8)5-6-15-13(14)16/h7H,5-6H2,1-4H3,(H3,14,15,16)
InChIKeyWPINFIIWFJFPOV-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
N-(2-chloroethyl)-2-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 115215127
[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
CID 115168853
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
N-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194169
2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
CID 115173142
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
2-(2,5-dichloro-4-methoxyphenyl)ethylurea
CID 115168522
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamothioic S-acid
CID 115170353
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea
CID 110775927
3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116927391

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea?
The IUPAC name of 2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea (CID 115168578) is 2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea.
What is the SMILES notation for 2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea?
The canonical SMILES for 2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea is COc1cc(C)c(CCNC(N)=O)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea?
The InChIKey is WPINFIIWFJFPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-7-12(17-4)10(3)9(2)11(8)5-6-15-13(14)16/h7H,5-6H2,1-4H3,(H3,14,15,16).
What are the key properties of 2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea?
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea has a molecular weight of 236.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea is sourced from PubChem (CID 115168578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).