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

C26H47N3O6 — CID 175971754

IUPAC3-[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
SMILESCOC1(C)CC(C)CN(C)C2(CCN(C(=O)CN(C)C)CC2)COC(=O)C(C)(C)C(=O)C(C)C1O
InChIInChI=1S/C26H47N3O6/c1-18-14-25(5,34-9)22(32)19(2)21(31)24(3,4)23(33)35-17-26(28(8)15-18)10-12-29(13-11-26)20(30)16-27(6)7/h18-19,22,32H,10-17H2,1-9H3
InChIKeyFWEGRCBABYDZDA-UHFFFAOYSA-N
MW497.68 g/mol
LogP1.42
Rot. Bonds3

About 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

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 (PubChem CID 175971754) has the molecular formula C26H47N3O6 and a molecular weight of 497.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID175971754
Molecular FormulaC26H47N3O6
Molecular Weight497.68 g/mol
Exact Mass497.35
IUPAC Name3-[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
SMILESCOC1(C)CC(C)CN(C)C2(CCN(C(=O)CN(C)C)CC2)COC(=O)C(C)(C)C(=O)C(C)C1O
InChIInChI=1S/C26H47N3O6/c1-18-14-25(5,34-9)22(32)19(2)21(31)24(3,4)23(33)35-17-26(28(8)15-18)10-12-29(13-11-26)20(30)16-27(6)7/h18-19,22,32H,10-17H2,1-9H3
InChIKeyFWEGRCBABYDZDA-UHFFFAOYSA-N
XLogP1.42
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.68
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC1(C)CC(C)CN(C)C2(CCN(C(=O)CN(C)C)CC2)COC(=O)C(C)(C)C(=O)C(C)C1O.
What is the InChIKey of 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?
The InChIKey is FWEGRCBABYDZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3O6/c1-18-14-25(5,34-9)22(32)19(2)21(31)24(3,4)23(33)35-17-26(28(8)15-18)10-12-29(13-11-26)20(30)16-27(6)7/h18-19,22,32H,10-17H2,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 497.68 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175971754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).