1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea

C20H26N2O3 — CID 3705348

IUPAC1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
SMILESCCOc1ccc(CCNC(=O)NCc2cccc(C)c2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-4-25-18-9-8-16(13-19(18)24-3)10-11-21-20(23)22-14-17-7-5-6-15(2)12-17/h5-9,12-13H,4,10-11,14H2,1-3H3,(H2,21,22,23)
InChIKeyXGVQEXSDBFAJEJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.44
Rot. Bonds8

About 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea

1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea (PubChem CID 3705348) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
PubChem CID3705348
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
SMILESCCOc1ccc(CCNC(=O)NCc2cccc(C)c2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-4-25-18-9-8-16(13-19(18)24-3)10-11-21-20(23)22-14-17-7-5-6-15(2)12-17/h5-9,12-13H,4,10-11,14H2,1-3H3,(H2,21,22,23)
InChIKeyXGVQEXSDBFAJEJ-UHFFFAOYSA-N
XLogP3.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38383800
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905537
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611
1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891619
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea (CID 3705348) is 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea is CCOc1ccc(CCNC(=O)NCc2cccc(C)c2)cc1OC.
What is the InChIKey of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea?
The InChIKey is XGVQEXSDBFAJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-25-18-9-8-16(13-19(18)24-3)10-11-21-20(23)22-14-17-7-5-6-15(2)12-17/h5-9,12-13H,4,10-11,14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea?
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 3705348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).