(2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide

C17H25N3O2 — CID 6604851

IUPAC(2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H](N)CC
InChIInChI=1S/C17H25N3O2/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21)/t13-,15+/m1/s1
InChIKeyHAQIRIMIVLFYIX-HIFRSBDPSA-N
MW303.41 g/mol
LogP1.60
Rot. Bonds6

About (2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide

(2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide (PubChem CID 6604851) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide
PubChem CID6604851
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H](N)CC
InChIInChI=1S/C17H25N3O2/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21)/t13-,15+/m1/s1
InChIKeyHAQIRIMIVLFYIX-HIFRSBDPSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.60
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 (2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide (CID 6604851) is (2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide is CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H](N)CC.
What is the InChIKey of (2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is HAQIRIMIVLFYIX-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21)/t13-,15+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 6604851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).