2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide

C19H24N2O2 — CID 66890211

IUPAC2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C=C1C(=O)N(CC2CCCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O2/c1-20(2)18(22)12-16-15-10-6-7-11-17(15)21(19(16)23)13-14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3
InChIKeyJQUYRUZOQYQUCP-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.09
Rot. Bonds3

About 2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide

2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide (PubChem CID 66890211) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide
PubChem CID66890211
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C=C1C(=O)N(CC2CCCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O2/c1-20(2)18(22)12-16-15-10-6-7-11-17(15)21(19(16)23)13-14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3
InChIKeyJQUYRUZOQYQUCP-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide (CID 66890211) is 2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide is CN(C)C(=O)C=C1C(=O)N(CC2CCCCC2)c2ccccc21.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide?
The InChIKey is JQUYRUZOQYQUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-20(2)18(22)12-16-15-10-6-7-11-17(15)21(19(16)23)13-14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3.
What are the key properties of 2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide?
2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide has a molecular weight of 312.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-N,N-dimethylacetamide is sourced from PubChem (CID 66890211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).