[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

C27H32F4N2O4 — CID 70906273

IUPAC[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCOCC1CN(c2cccc(C(F)(F)F)c2)CC2(CCN(C(=O)c3ccc(C(C)(C)O)c(F)c3)CC2)O1
InChIInChI=1S/C27H32F4N2O4/c1-25(2,35)22-8-7-18(13-23(22)28)24(34)32-11-9-26(10-12-32)17-33(15-21(37-26)16-36-3)20-6-4-5-19(14-20)27(29,30)31/h4-8,13-14,21,35H,9-12,15-17H2,1-3H3
InChIKeyUUWCSTSDCSCJOU-UHFFFAOYSA-N
MW524.56 g/mol
LogP4.60
Rot. Bonds5

About [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 70906273) has the molecular formula C27H32F4N2O4 and a molecular weight of 524.56 g/mol. Its IUPAC name is [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID70906273
Molecular FormulaC27H32F4N2O4
Molecular Weight524.56 g/mol
Exact Mass524.23
IUPAC Name[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCOCC1CN(c2cccc(C(F)(F)F)c2)CC2(CCN(C(=O)c3ccc(C(C)(C)O)c(F)c3)CC2)O1
InChIInChI=1S/C27H32F4N2O4/c1-25(2,35)22-8-7-18(13-23(22)28)24(34)32-11-9-26(10-12-32)17-33(15-21(37-26)16-36-3)20-6-4-5-19(14-20)27(29,30)31/h4-8,13-14,21,35H,9-12,15-17H2,1-3H3
InChIKeyUUWCSTSDCSCJOU-UHFFFAOYSA-N
XLogP4.60
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,2-difluoropropyl)-2-(methoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 70906456
[(2R,4R)-4-ethoxy-2-(4-fluorophenyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone
CID 71652166
[3-(2-methoxyethoxy)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55997430
2-[9-[4-(2-hydroxypropan-2-yl)-3-methoxybenzoyl]-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]acetonitrile
CID 89088404
[4-(cyclopenten-1-yl)-3-fluorophenyl]-(2-ethyl-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 70906328
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
[4-(2,2-difluoroethyl)-2-[1-(3-ethynylcyclobut-2-en-1-yl)prop-1-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone
CID 123280421
N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 33232971
4-[5-(3-fluoro-4-methoxybenzoyl)-7a-(methoxymethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
CID 171143028
N,N-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2401851
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
[4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 68838032

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 70906273) is [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is COCC1CN(c2cccc(C(F)(F)F)c2)CC2(CCN(C(=O)c3ccc(C(C)(C)O)c(F)c3)CC2)O1.
What is the InChIKey of [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is UUWCSTSDCSCJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4N2O4/c1-25(2,35)22-8-7-18(13-23(22)28)24(34)32-11-9-26(10-12-32)17-33(15-21(37-26)16-36-3)20-6-4-5-19(14-20)27(29,30)31/h4-8,13-14,21,35H,9-12,15-17H2,1-3H3.
What are the key properties of [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 524.56 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 70906273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).