3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride

C14H23Cl2N3O — CID 119851222

IUPAC3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H21N3O.2ClH/c15-8-6-14(18)16-9-3-10-17-11-7-12-4-1-2-5-13(12)17;;/h1-2,4-5H,3,6-11,15H2,(H,16,18);2*1H
InChIKeyVASIOALNMWJZIA-UHFFFAOYSA-N
MW320.26 g/mol
LogP1.75
Rot. Bonds6

About 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride

3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride (PubChem CID 119851222) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
PubChem CID119851222
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H21N3O.2ClH/c15-8-6-14(18)16-9-3-10-17-11-7-12-4-1-2-5-13(12)17;;/h1-2,4-5H,3,6-11,15H2,(H,16,18);2*1H
InChIKeyVASIOALNMWJZIA-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 51.75
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

3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
CID 110301318
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 70862961
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 112502054
7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride (CID 119851222) is 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride?
The InChIKey is VASIOALNMWJZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c15-8-6-14(18)16-9-3-10-17-11-7-12-4-1-2-5-13(12)17;;/h1-2,4-5H,3,6-11,15H2,(H,16,18);2*1H.
What are the key properties of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride?
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 1.75, 6 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]propanamide;dihydrochloride is sourced from PubChem (CID 119851222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).