(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide

C22H21N3O2 — CID 2414305

IUPAC(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide
SMILESCCCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C22H21N3O2/c1-2-3-9-14-25-19-13-8-7-12-17(19)20(22(25)27)18(15-23)21(26)24-16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14H2,1H3,(H,24,26)/b20-18+
InChIKeyMQFMNYWXWSSVOC-CZIZESTLSA-N
MW359.43 g/mol
LogP4.14
Rot. Bonds6

About (2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide

(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide (PubChem CID 2414305) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide.

Molecular Properties

Compound Name(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide
PubChem CID2414305
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide
SMILESCCCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C22H21N3O2/c1-2-3-9-14-25-19-13-8-7-12-17(19)20(22(25)27)18(15-23)21(26)24-16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14H2,1H3,(H,24,26)/b20-18+
InChIKeyMQFMNYWXWSSVOC-CZIZESTLSA-N
XLogP4.14
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide
CID 2422429
2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide
CID 23969128
tert-butyl 2-cyano-2-(10-hexylacridin-9-ylidene)acetate
CID 177419701
2-(1-ethyl-2-oxoindol-3-ylidene)-4,4-dimethyl-3-oxopentanenitrile
CID 3916382
(2E)-3-anilino-2-(1-butyl-5-methyl-2-oxoindol-3-ylidene)propanenitrile
CID 172868346
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)hexanenitrile
CID 102387405
butyl 2-[3-(dicyanomethylidene)-2-oxoindol-1-yl]acetate
CID 5159635
2-[3-(dicyanomethylidene)-2-oxoindol-1-yl]ethyl-diethylazanium
CID 7582591
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
(2Z)-2-[(5S)-5-[(4-butylphenyl)methyl]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 42496956
2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide
CID 6907176
(2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide
CID 124603237

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide?
The IUPAC name of (2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide (CID 2414305) is (2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide.
What is the SMILES notation for (2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide?
The canonical SMILES for (2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide is CCCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21.
What is the InChIKey of (2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide?
The InChIKey is MQFMNYWXWSSVOC-CZIZESTLSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-3-9-14-25-19-13-8-7-12-17(19)20(22(25)27)18(15-23)21(26)24-16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14H2,1H3,(H,24,26)/b20-18+.
What are the key properties of (2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide?
(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide has a molecular weight of 359.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide is sourced from PubChem (CID 2414305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).