N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

C16H29ClN2O3 — CID 119340243

IUPACN-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCC(COC1CCOC1)NC(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C16H28N2O3.ClH/c1-11(9-21-13-6-7-20-10-13)17-16(19)15-8-12-4-2-3-5-14(12)18-15;/h11-15,18H,2-10H2,1H3,(H,17,19);1H
InChIKeyRIAWVTMYQYIBBV-UHFFFAOYSA-N
MW332.87 g/mol
LogP1.64
Rot. Bonds5

About N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119340243) has the molecular formula C16H29ClN2O3 and a molecular weight of 332.87 g/mol. Its IUPAC name is N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119340243
Molecular FormulaC16H29ClN2O3
Molecular Weight332.87 g/mol
Exact Mass332.19
IUPAC NameN-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCC(COC1CCOC1)NC(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C16H28N2O3.ClH/c1-11(9-21-13-6-7-20-10-13)17-16(19)15-8-12-4-2-3-5-14(12)18-15;/h11-15,18H,2-10H2,1H3,(H,17,19);1H
InChIKeyRIAWVTMYQYIBBV-UHFFFAOYSA-N
XLogP1.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.87
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[1-(oxolan-3-yloxy)propan-2-yl]piperidine-2-carboxamide
CID 119340242
N-(5-methylhexan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579335
methyl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)butanoate;hydrochloride
CID 119274284
N-[1-(oxan-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119333944
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119863514
2-amino-2-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]propanamide;hydrochloride
CID 119340247
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide
CID 119812767
(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride
CID 119340273
N-(1-hydroxy-4-methylpentan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103796563
N-[(1R)-1-cyclopentylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 81389607
N-[1-(furan-2-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43705208
N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119299994

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119340243) is N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is CC(COC1CCOC1)NC(=O)C1CC2CCCCC2N1.Cl.
What is the InChIKey of N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is RIAWVTMYQYIBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3.ClH/c1-11(9-21-13-6-7-20-10-13)17-16(19)15-8-12-4-2-3-5-14(12)18-15;/h11-15,18H,2-10H2,1H3,(H,17,19);1H.
What are the key properties of N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 332.87 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yloxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119340243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).