8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H26N2O3 — CID 134810976

IUPAC8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1)C2(C)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-18(26)24-15-13-23(14-16-24)22(2,20-11-7-4-8-12-20)25(21(27)28-23)17-19-9-5-3-6-10-19/h3-12H,13-17H2,1-2H3
InChIKeyTUMPNRRPTUUFOS-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.94
Rot. Bonds3

About 8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134810976) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134810976
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1)C2(C)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-18(26)24-15-13-23(14-16-24)22(2,20-11-7-4-8-12-20)25(21(27)28-23)17-19-9-5-3-6-10-19/h3-12H,13-17H2,1-2H3
InChIKeyTUMPNRRPTUUFOS-UHFFFAOYSA-N
XLogP3.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134810976) is 8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1)C2(C)c1ccccc1.
What is the InChIKey of 8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is TUMPNRRPTUUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-18(26)24-15-13-23(14-16-24)22(2,20-11-7-4-8-12-20)25(21(27)28-23)17-19-9-5-3-6-10-19/h3-12H,13-17H2,1-2H3.
What are the key properties of 8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134810976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).