3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione

C26H38N2O5 — CID 174272557

IUPAC3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
SMILESCOC1CCC(=O)C(C)C(=O)OCC2(CCN(C(=O)c3ccccc3)CC2)N(C)CC(C)C1
InChIInChI=1S/C26H38N2O5/c1-19-16-22(32-4)10-11-23(29)20(2)25(31)33-18-26(27(3)17-19)12-14-28(15-13-26)24(30)21-8-6-5-7-9-21/h5-9,19-20,22H,10-18H2,1-4H3
InChIKeyIHMOKVSUCRUJKN-UHFFFAOYSA-N
MW458.60 g/mol
LogP3.18
Rot. Bonds2

About 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione

3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione (PubChem CID 174272557) has the molecular formula C26H38N2O5 and a molecular weight of 458.60 g/mol. Its IUPAC name is 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione.

Molecular Properties

Compound Name3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
PubChem CID174272557
Molecular FormulaC26H38N2O5
Molecular Weight458.60 g/mol
Exact Mass458.28
IUPAC Name3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
SMILESCOC1CCC(=O)C(C)C(=O)OCC2(CCN(C(=O)c3ccccc3)CC2)N(C)CC(C)C1
InChIInChI=1S/C26H38N2O5/c1-19-16-22(32-4)10-11-23(29)20(2)25(31)33-18-26(27(3)17-19)12-14-28(15-13-26)24(30)21-8-6-5-7-9-21/h5-9,19-20,22H,10-18H2,1-4H3
InChIKeyIHMOKVSUCRUJKN-UHFFFAOYSA-N
XLogP3.18
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione with MolForge

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Related Compounds

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(4-chlorophenyl)-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97283105
[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone
CID 83999951
N-(1-benzoyl-5-methylpiperidin-3-yl)acetamide
CID 112541842
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
8-benzoyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxylic acid
CID 53212527
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
8-benzoyl-3-[(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 126417098
(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
The IUPAC name of 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione (CID 174272557) is 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione.
What is the SMILES notation for 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
The canonical SMILES for 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione is COC1CCC(=O)C(C)C(=O)OCC2(CCN(C(=O)c3ccccc3)CC2)N(C)CC(C)C1.
What is the InChIKey of 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
The InChIKey is IHMOKVSUCRUJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O5/c1-19-16-22(32-4)10-11-23(29)20(2)25(31)33-18-26(27(3)17-19)12-14-28(15-13-26)24(30)21-8-6-5-7-9-21/h5-9,19-20,22H,10-18H2,1-4H3.
What are the key properties of 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione has a molecular weight of 458.60 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione is sourced from PubChem (CID 174272557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).