3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one

C24H30N6O3 — CID 123329735

IUPAC3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCN(CCc4ccc(-n5cnnn5)cc4C)CC3)CC2C)COC1=O
InChIInChI=1S/C24H30N6O3/c1-16-12-20(29-15-25-26-27-29)5-4-19(16)6-9-28-10-7-24(8-11-28)13-17(2)30(23(24)32)21-14-33-22(31)18(21)3/h4-5,12,15,17H,6-11,13-14H2,1-3H3
InChIKeyKMTSDGKPOMUIIA-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.05
Rot. Bonds5

About 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one

3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 123329735) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID123329735
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCN(CCc4ccc(-n5cnnn5)cc4C)CC3)CC2C)COC1=O
InChIInChI=1S/C24H30N6O3/c1-16-12-20(29-15-25-26-27-29)5-4-19(16)6-9-28-10-7-24(8-11-28)13-17(2)30(23(24)32)21-14-33-22(31)18(21)3/h4-5,12,15,17H,6-11,13-14H2,1-3H3
InChIKeyKMTSDGKPOMUIIA-UHFFFAOYSA-N
XLogP2.05
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one (CID 123329735) is 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2C(=O)C3(CCN(CCc4ccc(-n5cnnn5)cc4C)CC3)CC2C)COC1=O.
What is the InChIKey of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is KMTSDGKPOMUIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-16-12-20(29-15-25-26-27-29)5-4-19(16)6-9-28-10-7-24(8-11-28)13-17(2)30(23(24)32)21-14-33-22(31)18(21)3/h4-5,12,15,17H,6-11,13-14H2,1-3H3.
What are the key properties of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?
3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 450.54 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 123329735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).