2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide

C16H23N3O — CID 114456546

IUPAC2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CCc2cccc(N)c21
InChIInChI=1S/C16H23N3O/c1-11(16(20)18-13-6-2-3-7-13)19-10-9-12-5-4-8-14(17)15(12)19/h4-5,8,11,13H,2-3,6-7,9-10,17H2,1H3,(H,18,20)
InChIKeyBMXCLHQAXWIJOZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.08
Rot. Bonds3

About 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide

2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide (PubChem CID 114456546) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide
PubChem CID114456546
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CCc2cccc(N)c21
InChIInChI=1S/C16H23N3O/c1-11(16(20)18-13-6-2-3-7-13)19-10-9-12-5-4-8-14(17)15(12)19/h4-5,8,11,13H,2-3,6-7,9-10,17H2,1H3,(H,18,20)
InChIKeyBMXCLHQAXWIJOZ-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 51281393
ethyl 3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 114456149
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 9432046
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 92886787
1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone
CID 114458473
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
CID 81190714
2-(3-amino-2-methylphenoxy)-N-cyclopentylpropanamide
CID 43437833
2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115569478
5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 116658696
1-cyclobutyl-2,3-dihydroindol-7-amine
CID 84732901
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119946341

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide?
The IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide (CID 114456546) is 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N1CCc2cccc(N)c21.
What is the InChIKey of 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide?
The InChIKey is BMXCLHQAXWIJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(16(20)18-13-6-2-3-7-13)19-10-9-12-5-4-8-14(17)15(12)19/h4-5,8,11,13H,2-3,6-7,9-10,17H2,1H3,(H,18,20).
What are the key properties of 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide?
2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide has a molecular weight of 273.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopentylpropanamide is sourced from PubChem (CID 114456546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).