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

C19H18N2O4 — CID 139053020

IUPAC(5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
SMILESCN1C[C@@]2(OC1=O)O[C@@H](c1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C19H18N2O4/c1-20-13-19(25-18(20)23)21(12-14-8-4-2-5-9-14)17(22)16(24-19)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3/t16-,19-/m0/s1
InChIKeyZQPITTYNJHCCHL-LPHOPBHVSA-N
MW338.36 g/mol
LogP2.52
Rot. Bonds3

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

(5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione (PubChem CID 139053020) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione.

Molecular Properties

Compound Name(5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
PubChem CID139053020
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
SMILESCN1C[C@@]2(OC1=O)O[C@@H](c1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C19H18N2O4/c1-20-13-19(25-18(20)23)21(12-14-8-4-2-5-9-14)17(22)16(24-19)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3/t16-,19-/m0/s1
InChIKeyZQPITTYNJHCCHL-LPHOPBHVSA-N
XLogP2.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.52
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 (5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
The IUPAC name of (5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione (CID 139053020) is (5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione.
What is the SMILES notation for (5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
The canonical SMILES for (5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione is CN1C[C@@]2(OC1=O)O[C@@H](c1ccccc1)C(=O)N2Cc1ccccc1.
What is the InChIKey of (5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
The InChIKey is ZQPITTYNJHCCHL-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-20-13-19(25-18(20)23)21(12-14-8-4-2-5-9-14)17(22)16(24-19)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3/t16-,19-/m0/s1.
What are the key properties of (5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
(5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione has a molecular weight of 338.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-9-benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione is sourced from PubChem (CID 139053020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).