3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea

C15H24N2O4 — CID 108891657

IUPAC3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCCOc1ccc(CCNC(=O)N(C)CCO)cc1OC
InChIInChI=1S/C15H24N2O4/c1-4-21-13-6-5-12(11-14(13)20-3)7-8-16-15(19)17(2)9-10-18/h5-6,11,18H,4,7-10H2,1-3H3,(H,16,19)
InChIKeyYBNJWYJSKREQNO-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.27
Rot. Bonds8

About 3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea

3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 108891657) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
PubChem CID108891657
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCCOc1ccc(CCNC(=O)N(C)CCO)cc1OC
InChIInChI=1S/C15H24N2O4/c1-4-21-13-6-5-12(11-14(13)20-3)7-8-16-15(19)17(2)9-10-18/h5-6,11,18H,4,7-10H2,1-3H3,(H,16,19)
InChIKeyYBNJWYJSKREQNO-UHFFFAOYSA-N
XLogP1.27
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108891376
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108526714
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea (CID 108891657) is 3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea is CCOc1ccc(CCNC(=O)N(C)CCO)cc1OC.
What is the InChIKey of 3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is YBNJWYJSKREQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-21-13-6-5-12(11-14(13)20-3)7-8-16-15(19)17(2)9-10-18/h5-6,11,18H,4,7-10H2,1-3H3,(H,16,19).
What are the key properties of 3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea?
3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 296.37 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 108891657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).