2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide

C23H23N3O2 — CID 23791361

IUPAC2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C(C#N)=C1C(=O)N(CCC(C)C)c2ccccc21
InChIInChI=1S/C23H23N3O2/c1-15(2)12-13-26-20-11-7-5-9-17(20)21(23(26)28)18(14-24)22(27)25-19-10-6-4-8-16(19)3/h4-11,15H,12-13H2,1-3H3,(H,25,27)
InChIKeyMTIBJIPCSCVMHQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.30
Rot. Bonds5

About 2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide

2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide (PubChem CID 23791361) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide
PubChem CID23791361
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C(C#N)=C1C(=O)N(CCC(C)C)c2ccccc21
InChIInChI=1S/C23H23N3O2/c1-15(2)12-13-26-20-11-7-5-9-17(20)21(23(26)28)18(14-24)22(27)25-19-10-6-4-8-16(19)3/h4-11,15H,12-13H2,1-3H3,(H,25,27)
InChIKeyMTIBJIPCSCVMHQ-UHFFFAOYSA-N
XLogP4.30
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide
CID 2414305
2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide
CID 23969128
2-(1-ethyl-2-oxoindol-3-ylidene)-4,4-dimethyl-3-oxopentanenitrile
CID 3916382
2-cyano-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-N-(1-phenylethyl)acetamide
CID 23969256
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
(Z)-2-cyano-3-[4-(3-methylbutoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide
CID 78786079
(2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide
CID 124603237
2-[5-[(3-chloro-4-methylphenyl)methyl]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methylphenyl)acetamide
CID 4310846
2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 2409938
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide
CID 139451574

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide (CID 23791361) is 2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)C(C#N)=C1C(=O)N(CCC(C)C)c2ccccc21.
What is the InChIKey of 2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide?
The InChIKey is MTIBJIPCSCVMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(2)12-13-26-20-11-7-5-9-17(20)21(23(26)28)18(14-24)22(27)25-19-10-6-4-8-16(19)3/h4-11,15H,12-13H2,1-3H3,(H,25,27).
What are the key properties of 2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide?
2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide has a molecular weight of 373.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 23791361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).