(2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide

C20H21N3O3 — CID 47087166

IUPAC(2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide
SMILESCC(CC(=O)N1c2ccccc2C[C@H]1C(N)=O)NC(=O)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-13(22-20(26)14-7-3-2-4-8-14)11-18(24)23-16-10-6-5-9-15(16)12-17(23)19(21)25/h2-10,13,17H,11-12H2,1H3,(H2,21,25)(H,22,26)/t13?,17-/m0/s1
InChIKeyBTSXYUWBHGTJQT-RUINGEJQSA-N
MW351.41 g/mol
LogP1.64
Rot. Bonds5

About (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide

(2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 47087166) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID47087166
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide
SMILESCC(CC(=O)N1c2ccccc2C[C@H]1C(N)=O)NC(=O)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-13(22-20(26)14-7-3-2-4-8-14)11-18(24)23-16-10-6-5-9-15(16)12-17(23)19(21)25/h2-10,13,17H,11-12H2,1H3,(H2,21,25)(H,22,26)/t13?,17-/m0/s1
InChIKeyBTSXYUWBHGTJQT-RUINGEJQSA-N
XLogP1.64
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide
CID 135292912
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide
CID 78804572
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109051597
4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86981010
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2342367

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide (CID 47087166) is (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide is CC(CC(=O)N1c2ccccc2C[C@H]1C(N)=O)NC(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is BTSXYUWBHGTJQT-RUINGEJQSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(22-20(26)14-7-3-2-4-8-14)11-18(24)23-16-10-6-5-9-15(16)12-17(23)19(21)25/h2-10,13,17H,11-12H2,1H3,(H2,21,25)(H,22,26)/t13?,17-/m0/s1.
What are the key properties of (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide?
(2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-benzamidobutanoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 47087166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).