3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide

C21H27NO5 — CID 92677057

IUPAC3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cc(OC)ccc2OC)cc1OCC
InChIInChI=1S/C21H27NO5/c1-5-26-19-10-7-15(13-20(19)27-6-2)8-12-21(23)22-17-14-16(24-3)9-11-18(17)25-4/h7,9-11,13-14H,5-6,8,12H2,1-4H3,(H,22,23)
InChIKeyVPKHTDZXXAMDRV-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.07
Rot. Bonds10

About 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide

3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 92677057) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID92677057
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cc(OC)ccc2OC)cc1OCC
InChIInChI=1S/C21H27NO5/c1-5-26-19-10-7-15(13-20(19)27-6-2)8-12-21(23)22-17-14-16(24-3)9-11-18(17)25-4/h7,9-11,13-14H,5-6,8,12H2,1-4H3,(H,22,23)
InChIKeyVPKHTDZXXAMDRV-UHFFFAOYSA-N
XLogP4.07
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 46764321
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656790
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643093
2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide
CID 30395458

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide (CID 92677057) is 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2cc(OC)ccc2OC)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is VPKHTDZXXAMDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-5-26-19-10-7-15(13-20(19)27-6-2)8-12-21(23)22-17-14-16(24-3)9-11-18(17)25-4/h7,9-11,13-14H,5-6,8,12H2,1-4H3,(H,22,23).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide?
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 373.45 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 92677057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).