(4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione

C20H20N2O4 — CID 162403872

IUPAC(4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
SMILESC[C@@H]1N(C)C(=O)O[C@]12O[C@H](c1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C20H20N2O4/c1-14-20(26-19(24)21(14)2)22(13-15-9-5-3-6-10-15)18(23)17(25-20)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3/t14-,17+,20+/m0/s1
InChIKeyAVVHXXGVMCXHBK-JNAXZKDPSA-N
MW352.39 g/mol
LogP2.91
Rot. Bonds3

About (4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione

(4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione (PubChem CID 162403872) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione.

Molecular Properties

Compound Name(4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
PubChem CID162403872
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
SMILESC[C@@H]1N(C)C(=O)O[C@]12O[C@H](c1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C20H20N2O4/c1-14-20(26-19(24)21(14)2)22(13-15-9-5-3-6-10-15)18(23)17(25-20)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3/t14-,17+,20+/m0/s1
InChIKeyAVVHXXGVMCXHBK-JNAXZKDPSA-N
XLogP2.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
The IUPAC name of (4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione (CID 162403872) is (4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione.
What is the SMILES notation for (4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
The canonical SMILES for (4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione is C[C@@H]1N(C)C(=O)O[C@]12O[C@H](c1ccccc1)C(=O)N2Cc1ccccc1.
What is the InChIKey of (4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
The InChIKey is AVVHXXGVMCXHBK-JNAXZKDPSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14-20(26-19(24)21(14)2)22(13-15-9-5-3-6-10-15)18(23)17(25-20)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3/t14-,17+,20+/m0/s1.
What are the key properties of (4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
(4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione has a molecular weight of 352.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,7R)-9-benzyl-3,4-dimethyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione is sourced from PubChem (CID 162403872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).