ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide

C14H26N2O — CID 143290096

IUPACethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide
SMILESCC.CCNC(=O)N1CCC2C(C)=CCCC21
InChIInChI=1S/C12H20N2O.C2H6/c1-3-13-12(15)14-8-7-10-9(2)5-4-6-11(10)14;1-2/h5,10-11H,3-4,6-8H2,1-2H3,(H,13,15);1-2H3
InChIKeyZJTPTVLWIICSNU-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.17
Rot. Bonds1

About ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide

ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide (PubChem CID 143290096) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide
PubChem CID143290096
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Nameethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide
SMILESCC.CCNC(=O)N1CCC2C(C)=CCCC21
InChIInChI=1S/C12H20N2O.C2H6/c1-3-13-12(15)14-8-7-10-9(2)5-4-6-11(10)14;1-2/h5,10-11H,3-4,6-8H2,1-2H3,(H,13,15);1-2H3
InChIKeyZJTPTVLWIICSNU-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide?
The IUPAC name of ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide (CID 143290096) is ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide.
What is the SMILES notation for ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide?
The canonical SMILES for ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide is CC.CCNC(=O)N1CCC2C(C)=CCCC21.
What is the InChIKey of ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide?
The InChIKey is ZJTPTVLWIICSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.C2H6/c1-3-13-12(15)14-8-7-10-9(2)5-4-6-11(10)14;1-2/h5,10-11H,3-4,6-8H2,1-2H3,(H,13,15);1-2H3.
What are the key properties of ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide?
ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide is sourced from PubChem (CID 143290096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).