4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H32F3N3O4 — CID 3900291

IUPAC4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)OC2(CC(C)(C)NC(C)(C)C2)C1(C)O
InChIInChI=1S/C24H32F3N3O4/c1-14-16(17-11-15(33-24(25,26)27)7-8-18(17)28-14)9-10-30-19(31)34-23(22(30,6)32)12-20(2,3)29-21(4,5)13-23/h7-8,11,28-29,32H,9-10,12-13H2,1-6H3
InChIKeyUDRJPFOVXLSABQ-UHFFFAOYSA-N
MW483.53 g/mol
LogP4.76
Rot. Bonds4

About 4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3900291) has the molecular formula C24H32F3N3O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3900291
Molecular FormulaC24H32F3N3O4
Molecular Weight483.53 g/mol
Exact Mass483.23
IUPAC Name4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)OC2(CC(C)(C)NC(C)(C)C2)C1(C)O
InChIInChI=1S/C24H32F3N3O4/c1-14-16(17-11-15(33-24(25,26)27)7-8-18(17)28-14)9-10-30-19(31)34-23(22(30,6)32)12-20(2,3)29-21(4,5)13-23/h7-8,11,28-29,32H,9-10,12-13H2,1-6H3
InChIKeyUDRJPFOVXLSABQ-UHFFFAOYSA-N
XLogP4.76
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 44365771
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CID 4613311
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3900291) is 4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)OC2(CC(C)(C)NC(C)(C)C2)C1(C)O.
What is the InChIKey of 4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UDRJPFOVXLSABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O4/c1-14-16(17-11-15(33-24(25,26)27)7-8-18(17)28-14)9-10-30-19(31)34-23(22(30,6)32)12-20(2,3)29-21(4,5)13-23/h7-8,11,28-29,32H,9-10,12-13H2,1-6H3.
What are the key properties of 4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 483.53 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4,7,7,9,9-pentamethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3900291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).