3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide

C20H22N2O5 — CID 2792890

IUPAC3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC
InChIInChI=1S/C20H22N2O5/c1-4-26-18-10-7-15(13-19(18)27-5-2)8-11-20(23)21-16-9-6-14(3)12-17(16)22(24)25/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyGRLZNSGWBRDBLS-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.35
Rot. Bonds8

About 3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide

3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide (PubChem CID 2792890) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
PubChem CID2792890
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC
InChIInChI=1S/C20H22N2O5/c1-4-26-18-10-7-15(13-19(18)27-5-2)8-11-20(23)21-16-9-6-14(3)12-17(16)22(24)25/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyGRLZNSGWBRDBLS-UHFFFAOYSA-N
XLogP4.35
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 6005799
(E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 84552112
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 51161619
N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2933763
(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide
CID 6027037
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 18863144
N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2931629
3-(4-ethoxy-3-methoxyphenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
CID 76860578
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 75618226
(E)-N-(4-bromo-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9410498

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide (CID 2792890) is 3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide?
The InChIKey is GRLZNSGWBRDBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-4-26-18-10-7-15(13-19(18)27-5-2)8-11-20(23)21-16-9-6-14(3)12-17(16)22(24)25/h6-13H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide?
3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide has a molecular weight of 370.41 g/mol, XLogP of 4.35, 8 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-(4-methyl-2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 2792890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).