8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C32H32N2O3 — CID 149431949

IUPAC8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CC(c3ccccc3)c3ccc(OCc4ccc5ccccc5c4)cc3)CC2)O1
InChIInChI=1S/C32H32N2O3/c35-31-33-23-32(37-31)16-18-34(19-17-32)21-30(26-7-2-1-3-8-26)27-12-14-29(15-13-27)36-22-24-10-11-25-6-4-5-9-28(25)20-24/h1-15,20,30H,16-19,21-23H2,(H,33,35)
InChIKeyWUSIOHHNBHEZNZ-UHFFFAOYSA-N
MW492.62 g/mol
LogP6.13
Rot. Bonds7

About 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 149431949) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID149431949
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Name8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CC(c3ccccc3)c3ccc(OCc4ccc5ccccc5c4)cc3)CC2)O1
InChIInChI=1S/C32H32N2O3/c35-31-33-23-32(37-31)16-18-34(19-17-32)21-30(26-7-2-1-3-8-26)27-12-14-29(15-13-27)36-22-24-10-11-25-6-4-5-9-28(25)20-24/h1-15,20,30H,16-19,21-23H2,(H,33,35)
InChIKeyWUSIOHHNBHEZNZ-UHFFFAOYSA-N
XLogP6.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-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 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 149431949) is 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(CC(c3ccccc3)c3ccc(OCc4ccc5ccccc5c4)cc3)CC2)O1.
What is the InChIKey of 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WUSIOHHNBHEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3/c35-31-33-23-32(37-31)16-18-34(19-17-32)21-30(26-7-2-1-3-8-26)27-12-14-29(15-13-27)36-22-24-10-11-25-6-4-5-9-28(25)20-24/h1-15,20,30H,16-19,21-23H2,(H,33,35).
What are the key properties of 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 492.62 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 149431949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).