N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride

C16H24ClN3O2 — CID 119583698

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCCc1ccc2c(c1)CC(=O)N2.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(10-17)19(2)16(21)5-3-4-12-6-7-14-13(8-12)9-15(20)18-14;/h6-8,11H,3-5,9-10,17H2,1-2H3,(H,18,20);1H
InChIKeyAMECFXJUJXYGDQ-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.73
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride (PubChem CID 119583698) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
PubChem CID119583698
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCCc1ccc2c(c1)CC(=O)N2.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(10-17)19(2)16(21)5-3-4-12-6-7-14-13(8-12)9-15(20)18-14;/h6-8,11H,3-5,9-10,17H2,1-2H3,(H,18,20);1H
InChIKeyAMECFXJUJXYGDQ-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119607628
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
CID 116924938
4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155349
N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
CID 119584493
N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119552860
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one
CID 117040458
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
2-hydroxy-N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 115140167

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride (CID 119583698) is N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride is CC(CN)N(C)C(=O)CCCc1ccc2c(c1)CC(=O)N2.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The InChIKey is AMECFXJUJXYGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11(10-17)19(2)16(21)5-3-4-12-6-7-14-13(8-12)9-15(20)18-14;/h6-8,11H,3-5,9-10,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119583698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).