N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

C19H26ClN3O2 — CID 119271734

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)C3CC4CCCCC4N3)ccc21.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-12(23)22-9-8-14-10-15(6-7-18(14)22)20-19(24)17-11-13-4-2-3-5-16(13)21-17;/h6-7,10,13,16-17,21H,2-5,8-9,11H2,1H3,(H,20,24);1H
InChIKeyRGYXWZOBACEBRX-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.88
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119271734) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119271734
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)C3CC4CCCCC4N3)ccc21.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-12(23)22-9-8-14-10-15(6-7-18(14)22)20-19(24)17-11-13-4-2-3-5-16(13)21-17;/h6-7,10,13,16-17,21H,2-5,8-9,11H2,1H3,(H,20,24);1H
InChIKeyRGYXWZOBACEBRX-UHFFFAOYSA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride
CID 119333739
N-(3-carbamoyl-4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119316558
N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119271748
N-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43103078
N-(3-acetamido-4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119278933
N-(3,5-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263211
1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604
N-(4-carbamoyl-3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119318631
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
N-[4-(azepane-1-carbonylamino)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119310674
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119326437
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120988225

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119271734) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is CC(=O)N1CCc2cc(NC(=O)C3CC4CCCCC4N3)ccc21.Cl.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is RGYXWZOBACEBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c1-12(23)22-9-8-14-10-15(6-7-18(14)22)20-19(24)17-11-13-4-2-3-5-16(13)21-17;/h6-7,10,13,16-17,21H,2-5,8-9,11H2,1H3,(H,20,24);1H.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 2.88, 2 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)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119271734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).