9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one

C21H25NO3 — CID 56589643

IUPAC9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESC[C@@H](c1ccc2ccccc2c1)N1CCC2(CCC(O)CC2)OC1=O
InChIInChI=1S/C21H25NO3/c1-15(17-7-6-16-4-2-3-5-18(16)14-17)22-13-12-21(25-20(22)24)10-8-19(23)9-11-21/h2-7,14-15,19,23H,8-13H2,1H3/t15-,19?,21?/m0/s1
InChIKeyPWBBXNGZOQJRAB-ULUNDTCASA-N
MW339.44 g/mol
LogP4.42
Rot. Bonds2

About 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one

9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one (PubChem CID 56589643) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
PubChem CID56589643
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESC[C@@H](c1ccc2ccccc2c1)N1CCC2(CCC(O)CC2)OC1=O
InChIInChI=1S/C21H25NO3/c1-15(17-7-6-16-4-2-3-5-18(16)14-17)22-13-12-21(25-20(22)24)10-8-19(23)9-11-21/h2-7,14-15,19,23H,8-13H2,1H3/t15-,19?,21?/m0/s1
InChIKeyPWBBXNGZOQJRAB-ULUNDTCASA-N
XLogP4.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-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 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
The IUPAC name of 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one (CID 56589643) is 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one is C[C@@H](c1ccc2ccccc2c1)N1CCC2(CCC(O)CC2)OC1=O.
What is the InChIKey of 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
The InChIKey is PWBBXNGZOQJRAB-ULUNDTCASA-N. The full InChI is InChI=1S/C21H25NO3/c1-15(17-7-6-16-4-2-3-5-18(16)14-17)22-13-12-21(25-20(22)24)10-8-19(23)9-11-21/h2-7,14-15,19,23H,8-13H2,1H3/t15-,19?,21?/m0/s1.
What are the key properties of 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one has a molecular weight of 339.44 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one is sourced from PubChem (CID 56589643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).