(9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione

C24H35N3O5 — CID 110065286

IUPAC(9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione
SMILESCOc1cccc(C(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)c1
InChIInChI=1S/C24H35N3O5/c1-18-21(28)25-12-6-16-32-15-4-3-9-24(23(30)26-18)10-13-27(14-11-24)22(29)19-7-5-8-20(17-19)31-2/h5,7-8,17-18H,3-4,6,9-16H2,1-2H3,(H,25,28)(H,26,30)/t18-/m0/s1
InChIKeyJGSGCIYMVNLXBK-SFHVURJKSA-N
MW445.56 g/mol
LogP2.13
Rot. Bonds2

About (9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione

(9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione (PubChem CID 110065286) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is (9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione.

Molecular Properties

Compound Name(9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione
PubChem CID110065286
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Name(9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione
SMILESCOc1cccc(C(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)c1
InChIInChI=1S/C24H35N3O5/c1-18-21(28)25-12-6-16-32-15-4-3-9-24(23(30)26-18)10-13-27(14-11-24)22(29)19-7-5-8-20(17-19)31-2/h5,7-8,17-18H,3-4,6,9-16H2,1-2H3,(H,25,28)(H,26,30)/t18-/m0/s1
InChIKeyJGSGCIYMVNLXBK-SFHVURJKSA-N
XLogP2.13
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(9S)-3-(4-chlorobenzoyl)-9-methyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione
CID 133071648
(9S)-3-[3-(3-fluorophenoxy)propanoyl]-9-methyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione
CID 133071758
(9S)-3-(2-methoxyquinoline-4-carbonyl)-9-methyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione
CID 110063073
(9S)-9-methyl-3-[5-methyl-1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione
CID 133073879
(9S,12S)-3-(2-methoxybenzoyl)-9,12-dimethyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione
CID 133067065
1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 134794616
(9S)-9-methyl-3-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione
CID 136727271
(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone
CID 70732555
(9S,12S)-9,12-dimethyl-3-(2-methylbenzoyl)-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione
CID 133066250
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
1'-[3-[2-(4-methylpiperidin-1-yl)ethoxy]benzoyl]spiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-6-one
CID 133070747
(9S)-3-[(4-chlorophenyl)methyl]-9-methyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione
CID 110065594

Frequently Asked Questions

What is the IUPAC name of (9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione?
The IUPAC name of (9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione (CID 110065286) is (9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione.
What is the SMILES notation for (9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione?
The canonical SMILES for (9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione is COc1cccc(C(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)c1.
What is the InChIKey of (9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione?
The InChIKey is JGSGCIYMVNLXBK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-18-21(28)25-12-6-16-32-15-4-3-9-24(23(30)26-18)10-13-27(14-11-24)22(29)19-7-5-8-20(17-19)31-2/h5,7-8,17-18H,3-4,6,9-16H2,1-2H3,(H,25,28)(H,26,30)/t18-/m0/s1.
What are the key properties of (9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione?
(9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione has a molecular weight of 445.56 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-3-(3-methoxybenzoyl)-9-methyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione is sourced from PubChem (CID 110065286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).