(11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione

C24H41N3O5 — CID 170647357

IUPAC(11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
SMILESCO[C@]1(C)CCCN(C)C2(CCN(C(=O)C3CCCN3)CC2)COC(=O)C(C)C(=O)CC1
InChIInChI=1S/C24H41N3O5/c1-18-20(28)8-10-23(2,31-4)9-6-14-26(3)24(17-32-22(18)30)11-15-27(16-12-24)21(29)19-7-5-13-25-19/h18-19,25H,5-17H2,1-4H3/t18?,19?,23-/m1/s1
InChIKeyJCLRMKVXWWEGLI-MTNXOHHFSA-N
MW451.61 g/mol
LogP1.76
Rot. Bonds2

About (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione

(11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione (PubChem CID 170647357) has the molecular formula C24H41N3O5 and a molecular weight of 451.61 g/mol. Its IUPAC name is (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione.

Molecular Properties

Compound Name(11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
PubChem CID170647357
Molecular FormulaC24H41N3O5
Molecular Weight451.61 g/mol
Exact Mass451.30
IUPAC Name(11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
SMILESCO[C@]1(C)CCCN(C)C2(CCN(C(=O)C3CCCN3)CC2)COC(=O)C(C)C(=O)CC1
InChIInChI=1S/C24H41N3O5/c1-18-20(28)8-10-23(2,31-4)9-6-14-26(3)24(17-32-22(18)30)11-15-27(16-12-24)21(29)19-7-5-13-25-19/h18-19,25H,5-17H2,1-4H3/t18?,19?,23-/m1/s1
InChIKeyJCLRMKVXWWEGLI-MTNXOHHFSA-N
XLogP1.76
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione with MolForge

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Related Compounds

(10R)-10-methoxy-2,6,10,14-tetramethyl-16-oxa-2,6-diazaspiro[4.12]heptadecane-13,15-dione
CID 174273906
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 129497245
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride
CID 154923032
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-methylidenepiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 130765902
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124696076

Frequently Asked Questions

What is the IUPAC name of (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
The IUPAC name of (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione (CID 170647357) is (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione.
What is the SMILES notation for (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
The canonical SMILES for (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione is CO[C@]1(C)CCCN(C)C2(CCN(C(=O)C3CCCN3)CC2)COC(=O)C(C)C(=O)CC1.
What is the InChIKey of (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
The InChIKey is JCLRMKVXWWEGLI-MTNXOHHFSA-N. The full InChI is InChI=1S/C24H41N3O5/c1-18-20(28)8-10-23(2,31-4)9-6-14-26(3)24(17-32-22(18)30)11-15-27(16-12-24)21(29)19-7-5-13-25-19/h18-19,25H,5-17H2,1-4H3/t18?,19?,23-/m1/s1.
What are the key properties of (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
(11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione has a molecular weight of 451.61 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione is sourced from PubChem (CID 170647357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).