(1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide

C26H22N2O2 — CID 139048963

IUPAC(1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide
SMILESCN(C(=O)[C@@H]1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-27-16-21(18-12-8-9-15-22(18)27)23-19-13-6-7-14-20(19)25(29)24(23)26(30)28(2)17-10-4-3-5-11-17/h3-16,23-24H,1-2H3/t23-,24-/m0/s1
InChIKeyWYBYEIAUJZDIPW-ZEQRLZLVSA-N
MW394.47 g/mol
LogP4.79
Rot. Bonds3

About (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide

(1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide (PubChem CID 139048963) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name(1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide
PubChem CID139048963
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name(1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide
SMILESCN(C(=O)[C@@H]1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-27-16-21(18-12-8-9-15-22(18)27)23-19-13-6-7-14-20(19)25(29)24(23)26(30)28(2)17-10-4-3-5-11-17/h3-16,23-24H,1-2H3/t23-,24-/m0/s1
InChIKeyWYBYEIAUJZDIPW-ZEQRLZLVSA-N
XLogP4.79
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide with MolForge

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Related Compounds

(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one
CID 53348652
N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
CID 7338454
(3R)-3-(1-methylindol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
CID 40964690
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450
ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 23823027
dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium
CID 7338441
1-methyl-1-(1-methylindol-3-yl)urea
CID 115168227
2-(1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
CID 70512999
3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione
CID 140506377
4-(4-benzylpiperazine-1-carbonyl)-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one
CID 71168944
1-[(3R)-3-(1-methylindol-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 949213

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide?
The IUPAC name of (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide (CID 139048963) is (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide.
What is the SMILES notation for (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide?
The canonical SMILES for (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide is CN(C(=O)[C@@H]1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12)c1ccccc1.
What is the InChIKey of (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide?
The InChIKey is WYBYEIAUJZDIPW-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-27-16-21(18-12-8-9-15-22(18)27)23-19-13-6-7-14-20(19)25(29)24(23)26(30)28(2)17-10-4-3-5-11-17/h3-16,23-24H,1-2H3/t23-,24-/m0/s1.
What are the key properties of (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide?
(1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide is sourced from PubChem (CID 139048963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).