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

C16H31ClN2O — CID 119342203

IUPACN-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCCC(C)CN(CC)C(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-4-12(3)11-18(5-2)16(19)15-10-13-8-6-7-9-14(13)17-15;/h12-15,17H,4-11H2,1-3H3;1H
InChIKeyZLOIWAGZRSYPSW-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.22
Rot. Bonds5

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

N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119342203) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119342203
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC NameN-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCCC(C)CN(CC)C(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-4-12(3)11-18(5-2)16(19)15-10-13-8-6-7-9-14(13)17-15;/h12-15,17H,4-11H2,1-3H3;1H
InChIKeyZLOIWAGZRSYPSW-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280649
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,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43125964
N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119304301
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-2-methylbutan-1-one
CID 116549171
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60963195
(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 103797895
N-ethyl-N-[(2-methylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119288633
N-(2-amino-2-oxoethyl)-N-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60947996
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60980755
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methylpentan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119342203) is N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is CCC(C)CN(CC)C(=O)C1CC2CCCCC2N1.Cl.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is ZLOIWAGZRSYPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-4-12(3)11-18(5-2)16(19)15-10-13-8-6-7-9-14(13)17-15;/h12-15,17H,4-11H2,1-3H3;1H.
What are the key properties of N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119342203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).