N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C17H32N2O — CID 43125964

IUPACN,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C17H32N2O/c1-3-5-11-19(12-6-4-2)17(20)16-13-14-9-7-8-10-15(14)18-16/h14-16,18H,3-13H2,1-2H3
InChIKeyYWEYYFGOUPBOGT-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.34
Rot. Bonds7

About N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 43125964) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID43125964
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C17H32N2O/c1-3-5-11-19(12-6-4-2)17(20)16-13-14-9-7-8-10-15(14)18-16/h14-16,18H,3-13H2,1-2H3
InChIKeyYWEYYFGOUPBOGT-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 43125964) is N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CCCCN(CCCC)C(=O)C1CC2CCCCC2N1.
What is the InChIKey of N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is YWEYYFGOUPBOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-5-11-19(12-6-4-2)17(20)16-13-14-9-7-8-10-15(14)18-16/h14-16,18H,3-13H2,1-2H3.
What are the key properties of N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 43125964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).