N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C21H27N3O2 — CID 37245091

IUPACN-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCN(CCCNC(=O)c1[nH]c2c(c1C)C(=O)CCC2)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-3-24(16-9-5-4-6-10-16)14-8-13-22-21(26)20-15(2)19-17(23-20)11-7-12-18(19)25/h4-6,9-10,23H,3,7-8,11-14H2,1-2H3,(H,22,26)
InChIKeyYYZMQHSDKRNBMO-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.49
Rot. Bonds7

About N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 37245091) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID37245091
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCN(CCCNC(=O)c1[nH]c2c(c1C)C(=O)CCC2)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-3-24(16-9-5-4-6-10-16)14-8-13-22-21(26)20-15(2)19-17(23-20)11-7-12-18(19)25/h4-6,9-10,23H,3,7-8,11-14H2,1-2H3,(H,22,26)
InChIKeyYYZMQHSDKRNBMO-UHFFFAOYSA-N
XLogP3.49
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 37245091) is N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CCN(CCCNC(=O)c1[nH]c2c(c1C)C(=O)CCC2)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is YYZMQHSDKRNBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-24(16-9-5-4-6-10-16)14-8-13-22-21(26)20-15(2)19-17(23-20)11-7-12-18(19)25/h4-6,9-10,23H,3,7-8,11-14H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 37245091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).