(11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione

C24H43N3O5 — CID 174272813

IUPAC(11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
SMILESCO[C@]1(C)CCCN(C)C2(CCN(C(=O)CN(C)C)CC2)COC(=O)C(C)(C)C(=O)CC1
InChIInChI=1S/C24H43N3O5/c1-22(2)19(28)9-11-23(3,31-7)10-8-14-26(6)24(18-32-21(22)30)12-15-27(16-13-24)20(29)17-25(4)5/h8-18H2,1-7H3/t23-/m1/s1
InChIKeyQKKIKRNHYMZQJG-HSZRJFAPSA-N
MW453.62 g/mol
LogP1.96
Rot. Bonds3

About (11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione

(11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione (PubChem CID 174272813) has the molecular formula C24H43N3O5 and a molecular weight of 453.62 g/mol. Its IUPAC name is (11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione.

Molecular Properties

Compound Name(11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
PubChem CID174272813
Molecular FormulaC24H43N3O5
Molecular Weight453.62 g/mol
Exact Mass453.32
IUPAC Name(11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
SMILESCO[C@]1(C)CCCN(C)C2(CCN(C(=O)CN(C)C)CC2)COC(=O)C(C)(C)C(=O)CC1
InChIInChI=1S/C24H43N3O5/c1-22(2)19(28)9-11-23(3,31-7)10-8-14-26(6)24(18-32-21(22)30)12-15-27(16-13-24)20(29)17-25(4)5/h8-18H2,1-7H3/t23-/m1/s1
InChIKeyQKKIKRNHYMZQJG-HSZRJFAPSA-N
XLogP1.96
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.62
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)acetyl]-12-hydroxy-11-methoxy-7,9,11,13,15,15-hexamethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
CID 175971754
(11R)-11-methoxy-7,11,15-trimethyl-3-(pyrrolidine-2-carbonyl)-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
CID 170647357
(10R)-10-methoxy-2,6,10,14-tetramethyl-16-oxa-2,6-diazaspiro[4.12]heptadecane-13,15-dione
CID 174273906
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 127763978
1-[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(dimethylamino)ethanone
CID 97418249
(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97393906
2-(dimethylamino)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 56751090
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233
2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 131129467
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131684632
(11R)-11-hydroxy-11-methoxy-7,15-dimethyl-2-[2-[methyl(propan-2-yl)amino]acetyl]-5-oxa-2,15-diazaspiro[3.12]hexadecane-6,8-dione
CID 174273956

Frequently Asked Questions

What is the IUPAC name of (11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
The IUPAC name of (11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione (CID 174272813) is (11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione.
What is the SMILES notation for (11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
The canonical SMILES for (11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione is CO[C@]1(C)CCCN(C)C2(CCN(C(=O)CN(C)C)CC2)COC(=O)C(C)(C)C(=O)CC1.
What is the InChIKey of (11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
The InChIKey is QKKIKRNHYMZQJG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H43N3O5/c1-22(2)19(28)9-11-23(3,31-7)10-8-14-26(6)24(18-32-21(22)30)12-15-27(16-13-24)20(29)17-25(4)5/h8-18H2,1-7H3/t23-/m1/s1.
What are the key properties of (11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione?
(11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione has a molecular weight of 453.62 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-3-[2-(dimethylamino)acetyl]-11-methoxy-7,11,15,15-tetramethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione is sourced from PubChem (CID 174272813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).