3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea

C14H22N2O4 — CID 108891376

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCOc1ccc(CCNC(=O)N(C)CCO)cc1OC
InChIInChI=1S/C14H22N2O4/c1-16(8-9-17)14(18)15-7-6-11-4-5-12(19-2)13(10-11)20-3/h4-5,10,17H,6-9H2,1-3H3,(H,15,18)
InChIKeyJMKBOGYXFDPOIN-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.88
Rot. Bonds7

About 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea

3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 108891376) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
PubChem CID108891376
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCOc1ccc(CCNC(=O)N(C)CCO)cc1OC
InChIInChI=1S/C14H22N2O4/c1-16(8-9-17)14(18)15-7-6-11-4-5-12(19-2)13(10-11)20-3/h4-5,10,17H,6-9H2,1-3H3,(H,15,18)
InChIKeyJMKBOGYXFDPOIN-UHFFFAOYSA-N
XLogP0.88
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108891657
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(dimethylsulfamoyl)ethyl]-1-methylurea
CID 122560234
1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-propylurea
CID 108891350
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
3-[3-(3,4-dimethoxyphenyl)propyl]-1-hydroxy-1-methylurea
CID 15675522
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108526714
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea (CID 108891376) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea is COc1ccc(CCNC(=O)N(C)CCO)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is JMKBOGYXFDPOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-16(8-9-17)14(18)15-7-6-11-4-5-12(19-2)13(10-11)20-3/h4-5,10,17H,6-9H2,1-3H3,(H,15,18).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea?
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 282.34 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 108891376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).