(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

C22H39N3O6 — CID 174273956

IUPAC(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
SMILESCO[C@]1(O)CCCN(C)CC2(CN(C(=O)CN(C)C(C)C)C2)OC(=O)C(C)C(=O)CC1
InChIInChI=1S/C22H39N3O6/c1-16(2)24(5)12-19(27)25-14-21(15-25)13-23(4)11-7-9-22(29,30-6)10-8-18(26)17(3)20(28)31-21/h16-17,29H,7-15H2,1-6H3/t17?,22-/m1/s1
InChIKeyVOJZWQIMPXXDMQ-IVAFLUGOSA-N
MW441.57 g/mol
LogP0.50
Rot. Bonds4

About (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

(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 (PubChem CID 174273956) has the molecular formula C22H39N3O6 and a molecular weight of 441.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID174273956
Molecular FormulaC22H39N3O6
Molecular Weight441.57 g/mol
Exact Mass441.28
IUPAC Name(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
SMILESCO[C@]1(O)CCCN(C)CC2(CN(C(=O)CN(C)C(C)C)C2)OC(=O)C(C)C(=O)CC1
InChIInChI=1S/C22H39N3O6/c1-16(2)24(5)12-19(27)25-14-21(15-25)13-23(4)11-7-9-22(29,30-6)10-8-18(26)17(3)20(28)31-21/h16-17,29H,7-15H2,1-6H3/t17?,22-/m1/s1
InChIKeyVOJZWQIMPXXDMQ-IVAFLUGOSA-N
XLogP0.50
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@]1(O)CCCN(C)CC2(CN(C(=O)CN(C)C(C)C)C2)OC(=O)C(C)C(=O)CC1.
What is the InChIKey of (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?
The InChIKey is VOJZWQIMPXXDMQ-IVAFLUGOSA-N. The full InChI is InChI=1S/C22H39N3O6/c1-16(2)24(5)12-19(27)25-14-21(15-25)13-23(4)11-7-9-22(29,30-6)10-8-18(26)17(3)20(28)31-21/h16-17,29H,7-15H2,1-6H3/t17?,22-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 441.57 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 174273956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).