N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide

C14H26N2O5 — CID 10946588

IUPACN-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide
SMILESCC(=O)NCCCOC[C@@H]1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)CCCN21
InChIInChI=1S/C14H26N2O5/c1-9(17)15-5-3-7-21-8-10-13(19)14(20)12-11(18)4-2-6-16(10)12/h10-14,18-20H,2-8H2,1H3,(H,15,17)/t10-,11-,12-,13-,14+/m1/s1
InChIKeyQEQAYFDSIHGZSD-KSTCHIGDSA-N
MW302.37 g/mol
LogP-1.54
Rot. Bonds6

About N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide

N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide (PubChem CID 10946588) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide
PubChem CID10946588
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC NameN-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide
SMILESCC(=O)NCCCOC[C@@H]1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)CCCN21
InChIInChI=1S/C14H26N2O5/c1-9(17)15-5-3-7-21-8-10-13(19)14(20)12-11(18)4-2-6-16(10)12/h10-14,18-20H,2-8H2,1H3,(H,15,17)/t10-,11-,12-,13-,14+/m1/s1
InChIKeyQEQAYFDSIHGZSD-KSTCHIGDSA-N
XLogP-1.54
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide with MolForge

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
(1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid
CID 59125271
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
N-[3-[3-[3-(hydroxyamino)propoxy]propoxy]propyl]acetamide
CID 20655076
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
3-hydroxy-N-[3-(2-methylpropoxy)propyl]piperidine-1-carboxamide
CID 110882664
N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide
CID 52572173
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
N-[4-(2-hydroxyethoxy)butyl]acetamide;methanesulfonyl chloride
CID 91572866
ethane;N-[2-[2-[2-[2-[2-(1-methylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 171081964

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide?
The IUPAC name of N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide (CID 10946588) is N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide.
What is the SMILES notation for N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide?
The canonical SMILES for N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide is CC(=O)NCCCOC[C@@H]1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)CCCN21.
What is the InChIKey of N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide?
The InChIKey is QEQAYFDSIHGZSD-KSTCHIGDSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-9(17)15-5-3-7-21-8-10-13(19)14(20)12-11(18)4-2-6-16(10)12/h10-14,18-20H,2-8H2,1H3,(H,15,17)/t10-,11-,12-,13-,14+/m1/s1.
What are the key properties of N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide?
N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide has a molecular weight of 302.37 g/mol, XLogP of -1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide is sourced from PubChem (CID 10946588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).