(2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H28F2N2O2 — CID 118561089

IUPAC(2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O
InChIInChI=1S/C20H28F2N2O2/c1-14(2)24-13-20(26-15(3)19(24)25)7-10-23(11-8-20)9-6-16-12-17(21)4-5-18(16)22/h4-5,12,14-15H,6-11,13H2,1-3H3/t15-/m1/s1
InChIKeyXXNMTYCFJGKDRL-OAHLLOKOSA-N
MW366.45 g/mol
LogP3.00
Rot. Bonds4

About (2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118561089) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is (2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118561089
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name(2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O
InChIInChI=1S/C20H28F2N2O2/c1-14(2)24-13-20(26-15(3)19(24)25)7-10-23(11-8-20)9-6-16-12-17(21)4-5-18(16)22/h4-5,12,14-15H,6-11,13H2,1-3H3/t15-/m1/s1
InChIKeyXXNMTYCFJGKDRL-OAHLLOKOSA-N
XLogP3.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560973
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
2,2,4-Trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560993
2-Methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561045
(2R)-2-ethyl-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561057
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561095

Frequently Asked Questions

What is the IUPAC name of (2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118561089) is (2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)N1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O.
What is the InChIKey of (2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XXNMTYCFJGKDRL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-14(2)24-13-20(26-15(3)19(24)25)7-10-23(11-8-20)9-6-16-12-17(21)4-5-18(16)22/h4-5,12,14-15H,6-11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118561089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).