(5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one

C23H31NO2 — CID 86730049

IUPAC(5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESCCCCCCC1=Cc2ccc([C@H]3CC[C@]4(COC(=O)N4)C3)cc2CC1
InChIInChI=1S/C23H31NO2/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-23(15-21)16-26-22(25)24-23/h9-10,13-14,21H,2-8,11-12,15-16H2,1H3,(H,24,25)/t21-,23+/m0/s1
InChIKeyVQRSZQSVNKYHGM-JTHBVZDNSA-N
MW353.51 g/mol
LogP5.73
Rot. Bonds6

About (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one

(5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one (PubChem CID 86730049) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
PubChem CID86730049
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESCCCCCCC1=Cc2ccc([C@H]3CC[C@]4(COC(=O)N4)C3)cc2CC1
InChIInChI=1S/C23H31NO2/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-23(15-21)16-26-22(25)24-23/h9-10,13-14,21H,2-8,11-12,15-16H2,1H3,(H,24,25)/t21-,23+/m0/s1
InChIKeyVQRSZQSVNKYHGM-JTHBVZDNSA-N
XLogP5.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one 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 (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The IUPAC name of (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one (CID 86730049) is (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one is CCCCCCC1=Cc2ccc([C@H]3CC[C@]4(COC(=O)N4)C3)cc2CC1.
What is the InChIKey of (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The InChIKey is VQRSZQSVNKYHGM-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H31NO2/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-23(15-21)16-26-22(25)24-23/h9-10,13-14,21H,2-8,11-12,15-16H2,1H3,(H,24,25)/t21-,23+/m0/s1.
What are the key properties of (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
(5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one has a molecular weight of 353.51 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-8-(6-hexyl-7,8-dihydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 86730049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).