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

C16H29ClN2O2 — CID 119304301

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCCN(CC1CCCO1)C(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-2-18(11-13-7-5-9-20-13)16(19)15-10-12-6-3-4-8-14(12)17-15;/h12-15,17H,2-11H2,1H3;1H
InChIKeyVPWBTBDXAKECNM-UHFFFAOYSA-N
MW316.87 g/mol
LogP2.36
Rot. Bonds4

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

N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119304301) has the molecular formula C16H29ClN2O2 and a molecular weight of 316.87 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119304301
Molecular FormulaC16H29ClN2O2
Molecular Weight316.87 g/mol
Exact Mass316.19
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCCN(CC1CCCO1)C(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-2-18(11-13-7-5-9-20-13)16(19)15-10-12-6-3-4-8-14(12)17-15;/h12-15,17H,2-11H2,1H3;1H
InChIKeyVPWBTBDXAKECNM-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.87
LogP ≤ 52.36
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,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43125964
N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262416
N-ethyl-N-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54949278
N-(2-amino-2-oxoethyl)-N-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60947996
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 61435668
N-ethyl-N-[(2-methylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119288633
(2S,5R)-5-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
CID 120789898
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 120927935
N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908699
2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978575
3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62776848

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119304301) is N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is CCN(CC1CCCO1)C(=O)C1CC2CCCCC2N1.Cl.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is VPWBTBDXAKECNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.ClH/c1-2-18(11-13-7-5-9-20-13)16(19)15-10-12-6-3-4-8-14(12)17-15;/h12-15,17H,2-11H2,1H3;1H.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 316.87 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119304301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).