1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea

C20H26N2O4 — CID 60562580

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea
SMILESCCOCc1ccccc1NC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-4-26-14-16-7-5-6-8-17(16)22-20(23)21-12-11-15-9-10-18(24-2)19(13-15)25-3/h5-10,13H,4,11-12,14H2,1-3H3,(H2,21,22,23)
InChIKeyNYSCLPVTZRGHGV-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.60
Rot. Bonds9

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea (PubChem CID 60562580) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea
PubChem CID60562580
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea
SMILESCCOCc1ccccc1NC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-4-26-14-16-7-5-6-8-17(16)22-20(23)21-12-11-15-9-10-18(24-2)19(13-15)25-3/h5-10,13H,4,11-12,14H2,1-3H3,(H2,21,22,23)
InChIKeyNYSCLPVTZRGHGV-UHFFFAOYSA-N
XLogP3.60
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate
CID 13352291
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
CID 52593578
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108868804
1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea (CID 60562580) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea is CCOCc1ccccc1NC(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea?
The InChIKey is NYSCLPVTZRGHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-26-14-16-7-5-6-8-17(16)22-20(23)21-12-11-15-9-10-18(24-2)19(13-15)25-3/h5-10,13H,4,11-12,14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea has a molecular weight of 358.44 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea is sourced from PubChem (CID 60562580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).