N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

C19H34N2O2 — CID 102557545

IUPACN-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)N1CCC2CCCCC21
InChIInChI=1S/C19H34N2O2/c1-19(2,3)17-15(8-6-12-23-17)13-20-18(22)21-11-10-14-7-4-5-9-16(14)21/h14-17H,4-13H2,1-3H3,(H,20,22)
InChIKeyGNSFEGHOVRMYIN-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.80
Rot. Bonds2

About N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (PubChem CID 102557545) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
PubChem CID102557545
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC NameN-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)N1CCC2CCCCC21
InChIInChI=1S/C19H34N2O2/c1-19(2,3)17-15(8-6-12-23-17)13-20-18(22)21-11-10-14-7-4-5-9-16(14)21/h14-17H,4-13H2,1-3H3,(H,20,22)
InChIKeyGNSFEGHOVRMYIN-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (CID 102557545) is N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.
What is the SMILES notation for N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The canonical SMILES for N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is CC(C)(C)C1OCCCC1CNC(=O)N1CCC2CCCCC21.
What is the InChIKey of N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The InChIKey is GNSFEGHOVRMYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-19(2,3)17-15(8-6-12-23-17)13-20-18(22)21-11-10-14-7-4-5-9-16(14)21/h14-17H,4-13H2,1-3H3,(H,20,22).
What are the key properties of N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is sourced from PubChem (CID 102557545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).