(2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide

C21H25N3O2 — CID 2362127

IUPAC(2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide
SMILESCC(C)CN1C(=O)/C(=C(/C#N)C(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-14(2)13-24-18-11-7-6-10-16(18)19(21(24)26)17(12-22)20(25)23-15-8-4-3-5-9-15/h6-7,10-11,14-15H,3-5,8-9,13H2,1-2H3,(H,23,25)/b19-17-
InChIKeyQKAULYITMLHXNX-ZPHPHTNESA-N
MW351.45 g/mol
LogP3.42
Rot. Bonds4

About (2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide

(2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide (PubChem CID 2362127) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide
PubChem CID2362127
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide
SMILESCC(C)CN1C(=O)/C(=C(/C#N)C(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-14(2)13-24-18-11-7-6-10-16(18)19(21(24)26)17(12-22)20(25)23-15-8-4-3-5-9-15/h6-7,10-11,14-15H,3-5,8-9,13H2,1-2H3,(H,23,25)/b19-17-
InChIKeyQKAULYITMLHXNX-ZPHPHTNESA-N
XLogP3.42
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide?
The IUPAC name of (2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide (CID 2362127) is (2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide?
The canonical SMILES for (2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide is CC(C)CN1C(=O)/C(=C(/C#N)C(=O)NC2CCCCC2)c2ccccc21.
What is the InChIKey of (2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide?
The InChIKey is QKAULYITMLHXNX-ZPHPHTNESA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(2)13-24-18-11-7-6-10-16(18)19(21(24)26)17(12-22)20(25)23-15-8-4-3-5-9-15/h6-7,10-11,14-15H,3-5,8-9,13H2,1-2H3,(H,23,25)/b19-17-.
What are the key properties of (2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide?
(2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-cyclohexyl-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide is sourced from PubChem (CID 2362127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).