3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H26N2O3 — CID 70719728

IUPAC3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)C(C(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccccc1
InChIInChI=1S/C19H26N2O3/c1-14(2)16(15-7-5-4-6-8-15)17(22)21-11-9-19(10-12-21)13-20(3)18(23)24-19/h4-8,14,16H,9-13H2,1-3H3
InChIKeyVDZJQUGQGMFBTJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.87
Rot. Bonds3

About 3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70719728) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70719728
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)C(C(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccccc1
InChIInChI=1S/C19H26N2O3/c1-14(2)16(15-7-5-4-6-8-15)17(22)21-11-9-19(10-12-21)13-20(3)18(23)24-19/h4-8,14,16H,9-13H2,1-3H3
InChIKeyVDZJQUGQGMFBTJ-UHFFFAOYSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70719728) is 3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)C(C(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccccc1.
What is the InChIKey of 3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VDZJQUGQGMFBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(2)16(15-7-5-4-6-8-15)17(22)21-11-9-19(10-12-21)13-20(3)18(23)24-19/h4-8,14,16H,9-13H2,1-3H3.
What are the key properties of 3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70719728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).