2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide

C21H34N2O5 — CID 6609473

IUPAC2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@@H](CO)NC(=O)C[C@H]1CC=CCCCCC(=O)OCC2(CCCC2)NC1=O
InChIInChI=1S/C21H34N2O5/c1-16(14-24)22-18(25)13-17-9-5-3-2-4-6-10-19(26)28-15-21(23-20(17)27)11-7-8-12-21/h3,5,16-17,24H,2,4,6-15H2,1H3,(H,22,25)(H,23,27)/t16-,17+/m0/s1
InChIKeyJNSSBHFUTDNNGZ-DLBZAZTESA-N
MW394.51 g/mol
LogP1.98
Rot. Bonds4

About 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide

2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide (PubChem CID 6609473) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide
PubChem CID6609473
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC Name2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@@H](CO)NC(=O)C[C@H]1CC=CCCCCC(=O)OCC2(CCCC2)NC1=O
InChIInChI=1S/C21H34N2O5/c1-16(14-24)22-18(25)13-17-9-5-3-2-4-6-10-19(26)28-15-21(23-20(17)27)11-7-8-12-21/h3,5,16-17,24H,2,4,6-15H2,1H3,(H,22,25)(H,23,27)/t16-,17+/m0/s1
InChIKeyJNSSBHFUTDNNGZ-DLBZAZTESA-N
XLogP1.98
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide (CID 6609473) is 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide is C[C@@H](CO)NC(=O)C[C@H]1CC=CCCCCC(=O)OCC2(CCCC2)NC1=O.
What is the InChIKey of 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is JNSSBHFUTDNNGZ-DLBZAZTESA-N. The full InChI is InChI=1S/C21H34N2O5/c1-16(14-24)22-18(25)13-17-9-5-3-2-4-6-10-19(26)28-15-21(23-20(17)27)11-7-8-12-21/h3,5,16-17,24H,2,4,6-15H2,1H3,(H,22,25)(H,23,27)/t16-,17+/m0/s1.
What are the key properties of 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 394.51 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 6609473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).