4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride

C14H20ClN3O2 — CID 119315166

IUPAC4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H19N3O2.ClH/c15-8-3-6-13(18)16-10-14(19)17-9-7-11-4-1-2-5-12(11)17;/h1-2,4-5H,3,6-10,15H2,(H,16,18);1H
InChIKeyDJMUIKBVNPITPZ-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.85
Rot. Bonds5

About 4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride

4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride (PubChem CID 119315166) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
PubChem CID119315166
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H19N3O2.ClH/c15-8-3-6-13(18)16-10-14(19)17-9-7-11-4-1-2-5-12(11)17;/h1-2,4-5H,3,6-10,15H2,(H,16,18);1H
InChIKeyDJMUIKBVNPITPZ-UHFFFAOYSA-N
XLogP0.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
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1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride (CID 119315166) is 4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride?
The InChIKey is DJMUIKBVNPITPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-8-3-6-13(18)16-10-14(19)17-9-7-11-4-1-2-5-12(11)17;/h1-2,4-5H,3,6-10,15H2,(H,16,18);1H.
What are the key properties of 4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride?
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride is sourced from PubChem (CID 119315166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).