(2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide

C22H29NO2 — CID 134956473

IUPAC(2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@]1(/C=C/C2CCCCC2)Cc2ccccc2C1=O
InChIInChI=1S/C22H29NO2/c1-21(2,3)23-20(25)22(14-13-16-9-5-4-6-10-16)15-17-11-7-8-12-18(17)19(22)24/h7-8,11-14,16H,4-6,9-10,15H2,1-3H3,(H,23,25)/b14-13+/t22-/m0/s1
InChIKeyGRFJBNJPZOQWNU-TWLJRWAQSA-N
MW339.48 g/mol
LogP4.46
Rot. Bonds3

About (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide

(2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide (PubChem CID 134956473) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide
PubChem CID134956473
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@]1(/C=C/C2CCCCC2)Cc2ccccc2C1=O
InChIInChI=1S/C22H29NO2/c1-21(2,3)23-20(25)22(14-13-16-9-5-4-6-10-16)15-17-11-7-8-12-18(17)19(22)24/h7-8,11-14,16H,4-6,9-10,15H2,1-3H3,(H,23,25)/b14-13+/t22-/m0/s1
InChIKeyGRFJBNJPZOQWNU-TWLJRWAQSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide with MolForge

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Related Compounds

methyl 2-methoxy-3-oxo-1H-indene-2-carboxylate
CID 102173835
N-tert-butyl-7-oxo-5,12-dihydroisoindolo[2,1-b]isoquinoline-11b-carboxamide
CID 122378955
1-cyclobutyl-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone
CID 91422686
N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide
CID 20885771
(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one
CID 90923684
2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
CID 162416140
2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
CID 156783192
tert-butyl (2S)-2-hydroxy-3-oxo-1H-indene-2-carboxylate
CID 15965724
S-[(2-methyl-3-oxo-1H-inden-2-yl)] N-aminocarbamothioate
CID 56633291
(3R)-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92667984
(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668090
N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 46260775

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide (CID 134956473) is (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide is CC(C)(C)NC(=O)[C@@]1(/C=C/C2CCCCC2)Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide?
The InChIKey is GRFJBNJPZOQWNU-TWLJRWAQSA-N. The full InChI is InChI=1S/C22H29NO2/c1-21(2,3)23-20(25)22(14-13-16-9-5-4-6-10-16)15-17-11-7-8-12-18(17)19(22)24/h7-8,11-14,16H,4-6,9-10,15H2,1-3H3,(H,23,25)/b14-13+/t22-/m0/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide?
(2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(E)-2-cyclohexylethenyl]-3-oxo-1H-indene-2-carboxamide is sourced from PubChem (CID 134956473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).