3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide

C18H21N3O — CID 119851205

IUPAC3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
SMILESNc1cccc(C(=O)NCCCN2CCc3ccccc32)c1
InChIInChI=1S/C18H21N3O/c19-16-7-3-6-15(13-16)18(22)20-10-4-11-21-12-9-14-5-1-2-8-17(14)21/h1-3,5-8,13H,4,9-12,19H2,(H,20,22)
InChIKeyZKIFELIJRFNULD-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.45
Rot. Bonds5

About 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide

3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide (PubChem CID 119851205) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
PubChem CID119851205
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
SMILESNc1cccc(C(=O)NCCCN2CCc3ccccc32)c1
InChIInChI=1S/C18H21N3O/c19-16-7-3-6-15(13-16)18(22)20-10-4-11-21-12-9-14-5-1-2-8-17(14)21/h1-3,5-8,13H,4,9-12,19H2,(H,20,22)
InChIKeyZKIFELIJRFNULD-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
CID 120642594
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92673523
3-[3-(2,3-dihydroindol-1-yl)propyl]aniline
CID 28721170
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide?
The IUPAC name of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide (CID 119851205) is 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide is Nc1cccc(C(=O)NCCCN2CCc3ccccc32)c1.
What is the InChIKey of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide?
The InChIKey is ZKIFELIJRFNULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-16-7-3-6-15(13-16)18(22)20-10-4-11-21-12-9-14-5-1-2-8-17(14)21/h1-3,5-8,13H,4,9-12,19H2,(H,20,22).
What are the key properties of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide?
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide has a molecular weight of 295.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide is sourced from PubChem (CID 119851205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).