N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide

C18H31N3O2 — CID 97000583

IUPACN-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCN2CCCC[C@H]12
InChIInChI=1S/C18H31N3O2/c1-13(19-18(23)14-7-3-2-4-8-14)17(22)20-15-10-12-21-11-6-5-9-16(15)21/h13-16H,2-12H2,1H3,(H,19,23)(H,20,22)/t13-,15+,16+/m0/s1
InChIKeyOZUYPZZOSULWFR-NUEKZKHPSA-N
MW321.47 g/mol
LogP1.81
Rot. Bonds4

About N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide

N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 97000583) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID97000583
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCN2CCCC[C@H]12
InChIInChI=1S/C18H31N3O2/c1-13(19-18(23)14-7-3-2-4-8-14)17(22)20-15-10-12-21-11-6-5-9-16(15)21/h13-16H,2-12H2,1H3,(H,19,23)(H,20,22)/t13-,15+,16+/m0/s1
InChIKeyOZUYPZZOSULWFR-NUEKZKHPSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 97000583) is N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide is C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCN2CCCC[C@H]12.
What is the InChIKey of N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is OZUYPZZOSULWFR-NUEKZKHPSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-13(19-18(23)14-7-3-2-4-8-14)17(22)20-15-10-12-21-11-6-5-9-16(15)21/h13-16H,2-12H2,1H3,(H,19,23)(H,20,22)/t13-,15+,16+/m0/s1.
What are the key properties of N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 321.47 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 97000583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).