3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea

C20H26N2O5 — CID 44765235

IUPAC3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(OC)c(NC(=O)N(C)CCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O5/c1-22(11-10-14-6-8-18(26-4)19(12-14)27-5)20(23)21-16-13-15(24-2)7-9-17(16)25-3/h6-9,12-13H,10-11H2,1-5H3,(H,21,23)
InChIKeyNSKUROORCXPOIQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.43
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea

3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea (PubChem CID 44765235) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
PubChem CID44765235
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(OC)c(NC(=O)N(C)CCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O5/c1-22(11-10-14-6-8-18(26-4)19(12-14)27-5)20(23)21-16-13-15(24-2)7-9-17(16)25-3/h6-9,12-13H,10-11H2,1-5H3,(H,21,23)
InChIKeyNSKUROORCXPOIQ-UHFFFAOYSA-N
XLogP3.43
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea
CID 171678550
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(dimethylsulfamoyl)ethyl]-1-methylurea
CID 122560234
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554484
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 55696677
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 55457019
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108891376
N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea
CID 42704946
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea (CID 44765235) is 3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea is COc1ccc(OC)c(NC(=O)N(C)CCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
The InChIKey is NSKUROORCXPOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-22(11-10-14-6-8-18(26-4)19(12-14)27-5)20(23)21-16-13-15(24-2)7-9-17(16)25-3/h6-9,12-13H,10-11H2,1-5H3,(H,21,23).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea has a molecular weight of 374.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 44765235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).