1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide

C14H19N3O2 — CID 119259829

IUPAC1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCCCN)ccc21
InChIInChI=1S/C14H19N3O2/c1-10(18)17-8-5-11-9-12(3-4-13(11)17)14(19)16-7-2-6-15/h3-4,9H,2,5-8,15H2,1H3,(H,16,19)
InChIKeyAGCMGPPSEPGQRV-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.67
Rot. Bonds4

About 1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 119259829) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
PubChem CID119259829
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCCCN)ccc21
InChIInChI=1S/C14H19N3O2/c1-10(18)17-8-5-11-9-12(3-4-13(11)17)14(19)16-7-2-6-15/h3-4,9H,2,5-8,15H2,1H3,(H,16,19)
InChIKeyAGCMGPPSEPGQRV-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.67
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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Related Compounds

1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119406138
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 119260893
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide
CID 119260765
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119260764
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
1-acetyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 56520293

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide (CID 119259829) is 1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NCCCN)ccc21.
What is the InChIKey of 1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is AGCMGPPSEPGQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(18)17-8-5-11-9-12(3-4-13(11)17)14(19)16-7-2-6-15/h3-4,9H,2,5-8,15H2,1H3,(H,16,19).
What are the key properties of 1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 119259829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).