(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide

C15H21N3O2 — CID 107568450

IUPAC(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H21N3O2/c1-3-4-13(16)15(20)17-12-5-6-14-11(9-12)7-8-18(14)10(2)19/h5-6,9,13H,3-4,7-8,16H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyZCASGEOQQOXWFA-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.66
Rot. Bonds4

About (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide

(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide (PubChem CID 107568450) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide.

Molecular Properties

Compound Name(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
PubChem CID107568450
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H21N3O2/c1-3-4-13(16)15(20)17-12-5-6-14-11(9-12)7-8-18(14)10(2)19/h5-6,9,13H,3-4,7-8,16H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyZCASGEOQQOXWFA-ZDUSSCGKSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119690415
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452391
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide?
The IUPAC name of (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide (CID 107568450) is (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide.
What is the SMILES notation for (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide?
The canonical SMILES for (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide is CCC[C@H](N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide?
The InChIKey is ZCASGEOQQOXWFA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-4-13(16)15(20)17-12-5-6-14-11(9-12)7-8-18(14)10(2)19/h5-6,9,13H,3-4,7-8,16H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide?
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide has a molecular weight of 275.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide is sourced from PubChem (CID 107568450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).