N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide

C22H21N3O3 — CID 18588027

IUPACN-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)C1Cc2ccccc2N1C(=O)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C22H21N3O3/c1-3-23-21(27)18-12-14-8-4-7-11-17(14)25(18)22(28)20(26)19-13(2)24-16-10-6-5-9-15(16)19/h4-11,18,24H,3,12H2,1-2H3,(H,23,27)
InChIKeyIJGDNIIPJRRIEO-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.75
Rot. Bonds4

About N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide

N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 18588027) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide
PubChem CID18588027
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)C1Cc2ccccc2N1C(=O)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C22H21N3O3/c1-3-23-21(27)18-12-14-8-4-7-11-17(14)25(18)22(28)20(26)19-13(2)24-16-10-6-5-9-15(16)19/h4-11,18,24H,3,12H2,1-2H3,(H,23,27)
InChIKeyIJGDNIIPJRRIEO-UHFFFAOYSA-N
XLogP2.75
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide
CID 41429016
(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
CID 18588020
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 166189545
2,3-dihydro-1H-inden-2-yl-(2-methyl-1H-indol-3-yl)methanone
CID 106892541
2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
CID 47093388
1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736
1-N-(2,3-dimethoxyphenyl)-2-N-ethyl-2,3-dihydroindole-1,2-dicarboxamide
CID 18588077
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 7117507
(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41429074
ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate
CID 11727048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide (CID 18588027) is N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide is CCNC(=O)C1Cc2ccccc2N1C(=O)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is IJGDNIIPJRRIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-23-21(27)18-12-14-8-4-7-11-17(14)25(18)22(28)20(26)19-13(2)24-16-10-6-5-9-15(16)19/h4-11,18,24H,3,12H2,1-2H3,(H,23,27).
What are the key properties of N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide?
N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18588027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).