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

C21H19N3O3 — CID 41429016

IUPAC(2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C21H19N3O3/c1-12-18(14-8-4-5-9-15(14)23-12)19(25)21(27)24-16-10-6-3-7-13(16)11-17(24)20(26)22-2/h3-10,17,23H,11H2,1-2H3,(H,22,26)/t17-/m0/s1
InChIKeyJMQPETNVGJOPFX-KRWDZBQOSA-N
MW361.40 g/mol
LogP2.36
Rot. Bonds3

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

(2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 41429016) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide
PubChem CID41429016
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name(2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C21H19N3O3/c1-12-18(14-8-4-5-9-15(14)23-12)19(25)21(27)24-16-10-6-3-7-13(16)11-17(24)20(26)22-2/h3-10,17,23H,11H2,1-2H3,(H,22,26)/t17-/m0/s1
InChIKeyJMQPETNVGJOPFX-KRWDZBQOSA-N
XLogP2.36
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.36
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

N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide
CID 18588027
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
2,3-dihydro-1H-inden-2-yl-(2-methyl-1H-indol-3-yl)methanone
CID 106892541
N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587995
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 166189545
1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 4916613
1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
CID 7087317
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
CID 7117347

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide (CID 41429016) is (2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide is CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of (2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is JMQPETNVGJOPFX-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-12-18(14-8-4-5-9-15(14)23-12)19(25)21(27)24-16-10-6-3-7-13(16)11-17(24)20(26)22-2/h3-10,17,23H,11H2,1-2H3,(H,22,26)/t17-/m0/s1.
What are the key properties of (2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide?
(2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41429016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).