1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea

C13H20N2O2 — CID 115169411

IUPAC1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-9-7-11(5-6-15-13(16)14-3)8-10(2)12(9)17-4/h7-8H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyRFOSARHUPQDQRW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.78
Rot. Bonds4

About 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea

1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea (PubChem CID 115169411) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
PubChem CID115169411
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-9-7-11(5-6-15-13(16)14-3)8-10(2)12(9)17-4/h7-8H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyRFOSARHUPQDQRW-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
CID 115169314
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-2-one
CID 115235985
[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
CID 115229389
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
CID 115169536
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
2-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133609
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide
CID 102483166

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea (CID 115169411) is 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea is CNC(=O)NCCc1cc(C)c(OC)c(C)c1.
What is the InChIKey of 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea?
The InChIKey is RFOSARHUPQDQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-7-11(5-6-15-13(16)14-3)8-10(2)12(9)17-4/h7-8H,5-6H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea?
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea has a molecular weight of 236.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea is sourced from PubChem (CID 115169411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).