3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide

C20H24N2O6 — CID 46764321

IUPAC3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC
InChIInChI=1S/C20H24N2O6/c1-4-27-18-9-6-14(12-19(18)28-5-2)7-11-20(23)21-16-13-15(22(24)25)8-10-17(16)26-3/h6,8-10,12-13H,4-5,7,11H2,1-3H3,(H,21,23)
InChIKeyDRXLFTIXYHHFMV-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.97
Rot. Bonds10

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

3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide (PubChem CID 46764321) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide
PubChem CID46764321
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC
InChIInChI=1S/C20H24N2O6/c1-4-27-18-9-6-14(12-19(18)28-5-2)7-11-20(23)21-16-13-15(22(24)25)8-10-17(16)26-3/h6,8-10,12-13H,4-5,7,11H2,1-3H3,(H,21,23)
InChIKeyDRXLFTIXYHHFMV-UHFFFAOYSA-N
XLogP3.97
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026
(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8798670
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
1-[(2-ethoxyphenoxy)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108877389
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide
CID 1293209
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
3-(4-ethylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 5159522
3-[benzyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4285905
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]propanamide
CID 23087634

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide (CID 46764321) is 3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide is CCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide?
The InChIKey is DRXLFTIXYHHFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-4-27-18-9-6-14(12-19(18)28-5-2)7-11-20(23)21-16-13-15(22(24)25)8-10-17(16)26-3/h6,8-10,12-13H,4-5,7,11H2,1-3H3,(H,21,23).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide?
3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide has a molecular weight of 388.42 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 46764321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).