1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea

C18H22N2O4 — CID 108884279

IUPAC1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O4/c1-4-24-15-8-5-13(6-9-15)12-19-18(21)20-14-7-10-16(22-2)17(11-14)23-3/h5-11H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeyFQDMRINTCGTJLZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.42
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea

1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea (PubChem CID 108884279) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
PubChem CID108884279
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O4/c1-4-24-15-8-5-13(6-9-15)12-19-18(21)20-14-7-10-16(22-2)17(11-14)23-3/h5-11H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeyFQDMRINTCGTJLZ-UHFFFAOYSA-N
XLogP3.42
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869673
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969501
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892792
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea
CID 52642986
1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea
CID 2206292
1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38202852
1-[(4-ethoxyphenyl)methyl]-3-(4-nitrophenyl)urea
CID 108884371

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea (CID 108884279) is 1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea is CCOc1ccc(CNC(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
The InChIKey is FQDMRINTCGTJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-24-15-8-5-13(6-9-15)12-19-18(21)20-14-7-10-16(22-2)17(11-14)23-3/h5-11H,4,12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea has a molecular weight of 330.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea is sourced from PubChem (CID 108884279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).