1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride

C15H22ClN3O2 — CID 119259944

IUPAC1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc2c(c1)CCN2C(C)=O.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(19)18-9-6-12-10-13(4-5-14(12)18)15(20)17-8-3-7-16-2;/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,20);1H
InChIKeySDSXVVCNLZTGBJ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.36
Rot. Bonds5

About 1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride

1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride (PubChem CID 119259944) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
PubChem CID119259944
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc2c(c1)CCN2C(C)=O.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(19)18-9-6-12-10-13(4-5-14(12)18)15(20)17-8-3-7-16-2;/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,20);1H
InChIKeySDSXVVCNLZTGBJ-UHFFFAOYSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.36
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-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
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;hydrochloride
CID 119260764
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119260434
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
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
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide
CID 119260765
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 119260435

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride?
The IUPAC name of 1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride (CID 119259944) is 1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride is CNCCCNC(=O)c1ccc2c(c1)CCN2C(C)=O.Cl.
What is the InChIKey of 1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride?
The InChIKey is SDSXVVCNLZTGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-11(19)18-9-6-12-10-13(4-5-14(12)18)15(20)17-8-3-7-16-2;/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,20);1H.
What are the key properties of 1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride?
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119259944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).