1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

C19H24N2O5 — CID 108867817

IUPAC1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2c(OC)cccc2OC)cc1OC
InChIInChI=1S/C19H24N2O5/c1-23-14-9-8-13(12-17(14)26-4)10-11-20-19(22)21-18-15(24-2)6-5-7-16(18)25-3/h5-9,12H,10-11H2,1-4H3,(H2,20,21,22)
InChIKeyKLJTXDXEWXLYFC-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.09
Rot. Bonds8

About 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 108867817) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID108867817
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2c(OC)cccc2OC)cc1OC
InChIInChI=1S/C19H24N2O5/c1-23-14-9-8-13(12-17(14)26-4)10-11-20-19(22)21-18-15(24-2)6-5-7-16(18)25-3/h5-9,12H,10-11H2,1-4H3,(H2,20,21,22)
InChIKeyKLJTXDXEWXLYFC-UHFFFAOYSA-N
XLogP3.09
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891619
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
1-[2-(3-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891452
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea
CID 108868367
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
CID 52593578
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide
CID 109027750
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CID 108867817) is 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2c(OC)cccc2OC)cc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is KLJTXDXEWXLYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-23-14-9-8-13(12-17(14)26-4)10-11-20-19(22)21-18-15(24-2)6-5-7-16(18)25-3/h5-9,12H,10-11H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 360.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 108867817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).