3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide

C17H29N3O2 — CID 171442370

IUPAC3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide
SMILESCC(=O)NC1CCCC(C(=O)NC2CCN3CCCCC23)C1
InChIInChI=1S/C17H29N3O2/c1-12(21)18-14-6-4-5-13(11-14)17(22)19-15-8-10-20-9-3-2-7-16(15)20/h13-16H,2-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyQUPIVMDQHHYWOU-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.42
Rot. Bonds3

About 3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide

3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide (PubChem CID 171442370) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide
PubChem CID171442370
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide
SMILESCC(=O)NC1CCCC(C(=O)NC2CCN3CCCCC23)C1
InChIInChI=1S/C17H29N3O2/c1-12(21)18-14-6-4-5-13(11-14)17(22)19-15-8-10-20-9-3-2-7-16(15)20/h13-16H,2-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyQUPIVMDQHHYWOU-UHFFFAOYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide (CID 171442370) is 3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide is CC(=O)NC1CCCC(C(=O)NC2CCN3CCCCC23)C1.
What is the InChIKey of 3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is QUPIVMDQHHYWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(21)18-14-6-4-5-13(11-14)17(22)19-15-8-10-20-9-3-2-7-16(15)20/h13-16H,2-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide?
3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 171442370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).