N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

C15H27ClN2O2 — CID 119341289

IUPACN-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCN(CC1CCOC1)C(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C15H26N2O2.ClH/c1-17(9-11-6-7-19-10-11)15(18)14-8-12-4-2-3-5-13(12)16-14;/h11-14,16H,2-10H2,1H3;1H
InChIKeyKSWVVLHTODQCAS-UHFFFAOYSA-N
MW302.85 g/mol
LogP1.82
Rot. Bonds3

About N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119341289) has the molecular formula C15H27ClN2O2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119341289
Molecular FormulaC15H27ClN2O2
Molecular Weight302.85 g/mol
Exact Mass302.18
IUPAC NameN-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCN(CC1CCOC1)C(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C15H26N2O2.ClH/c1-17(9-11-6-7-19-10-11)15(18)14-8-12-4-2-3-5-13(12)16-14;/h11-14,16H,2-10H2,1H3;1H
InChIKeyKSWVVLHTODQCAS-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119281282
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119855579
oxolan-3-ylmethyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 54976992
N-(2-methoxyethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280509
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469006
N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262416
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54999254
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119958215
N-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119814558
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119304301
N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119328117

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119341289) is N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is CN(CC1CCOC1)C(=O)C1CC2CCCCC2N1.Cl.
What is the InChIKey of N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is KSWVVLHTODQCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2.ClH/c1-17(9-11-6-7-19-10-11)15(18)14-8-12-4-2-3-5-13(12)16-14;/h11-14,16H,2-10H2,1H3;1H.
What are the key properties of N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119341289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).