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

C25H30N2O3 — CID 134808685

IUPAC3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)C(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1)C2(C)c1ccccc1
InChIInChI=1S/C25H30N2O3/c1-19(2)22(28)26-16-14-25(15-17-26)24(3,21-12-8-5-9-13-21)27(23(29)30-25)18-20-10-6-4-7-11-20/h4-13,19H,14-18H2,1-3H3
InChIKeyAVHIXWPQWAYBKS-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.57
Rot. Bonds4

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

3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134808685) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134808685
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)C(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1)C2(C)c1ccccc1
InChIInChI=1S/C25H30N2O3/c1-19(2)22(28)26-16-14-25(15-17-26)24(3,21-12-8-5-9-13-21)27(23(29)30-25)18-20-10-6-4-7-11-20/h4-13,19H,14-18H2,1-3H3
InChIKeyAVHIXWPQWAYBKS-UHFFFAOYSA-N
XLogP4.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134808685) is 3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)C(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1)C2(C)c1ccccc1.
What is the InChIKey of 3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AVHIXWPQWAYBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-19(2)22(28)26-16-14-25(15-17-26)24(3,21-12-8-5-9-13-21)27(23(29)30-25)18-20-10-6-4-7-11-20/h4-13,19H,14-18H2,1-3H3.
What are the key properties of 3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 406.53 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134808685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).