N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride

C14H20ClN3O2 — CID 119271758

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)CCCN)ccc21.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10(18)17-8-6-11-9-12(4-5-13(11)17)16-14(19)3-2-7-15;/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,19);1H
InChIKeyNZAZZURONIOWLJ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.69
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride (PubChem CID 119271758) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
PubChem CID119271758
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)CCCN)ccc21.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10(18)17-8-6-11-9-12(4-5-13(11)17)16-14(19)3-2-7-15;/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,19);1H
InChIKeyNZAZZURONIOWLJ-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride (CID 119271758) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride is CC(=O)N1CCc2cc(NC(=O)CCCN)ccc21.Cl.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride?
The InChIKey is NZAZZURONIOWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-10(18)17-8-6-11-9-12(4-5-13(11)17)16-14(19)3-2-7-15;/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,19);1H.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride is sourced from PubChem (CID 119271758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).