2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide

C24H19N3O5 — CID 3431371

IUPAC2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H19N3O5/c1-31-23-5-3-2-4-22(23)26-24(28)16-32-21-12-6-17(7-13-21)14-19(15-25)18-8-10-20(11-9-18)27(29)30/h2-14H,16H2,1H3,(H,26,28)
InChIKeySFONOOPAADOPMU-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.69
Rot. Bonds8

About 2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide

2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 3431371) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is 2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide
PubChem CID3431371
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H19N3O5/c1-31-23-5-3-2-4-22(23)26-24(28)16-32-21-12-6-17(7-13-21)14-19(15-25)18-8-10-20(11-9-18)27(29)30/h2-14H,16H2,1H3,(H,26,28)
InChIKeySFONOOPAADOPMU-UHFFFAOYSA-N
XLogP4.69
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 126389645
2-[2-bromo-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126267003
N-(2-chlorophenyl)-2-[4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]-2-iodo-6-methoxyphenoxy]acetamide
CID 126260068
2-[2,6-dibromo-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126268149
2-[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126015283
2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide
CID 21375367
2-(4-nitrophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
CID 2952259
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
(E)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695712
2-(4-hydroxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 43326297
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide (CID 3431371) is 2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is SFONOOPAADOPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-31-23-5-3-2-4-22(23)26-24(28)16-32-21-12-6-17(7-13-21)14-19(15-25)18-8-10-20(11-9-18)27(29)30/h2-14H,16H2,1H3,(H,26,28).
What are the key properties of 2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 429.43 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 3431371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).