(2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide

C24H34N2O6 — CID 69070991

IUPAC(2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide
SMILESCO[C@@H](C(=O)NC1CN(c2ccccc2)C1=O)[C@@H]1OC(C)(C)O[C@H](C=CC(C)(C)C)[C@@H]1O
InChIInChI=1S/C24H34N2O6/c1-23(2,3)13-12-17-18(27)19(32-24(4,5)31-17)20(30-6)21(28)25-16-14-26(22(16)29)15-10-8-7-9-11-15/h7-13,16-20,27H,14H2,1-6H3,(H,25,28)/t16?,17-,18+,19-,20-/m1/s1
InChIKeyHDIDKKYRBXBENJ-DGDSNLKDSA-N
MW446.54 g/mol
LogP2.02
Rot. Bonds6

About (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide

(2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide (PubChem CID 69070991) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide
PubChem CID69070991
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Name(2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide
SMILESCO[C@@H](C(=O)NC1CN(c2ccccc2)C1=O)[C@@H]1OC(C)(C)O[C@H](C=CC(C)(C)C)[C@@H]1O
InChIInChI=1S/C24H34N2O6/c1-23(2,3)13-12-17-18(27)19(32-24(4,5)31-17)20(30-6)21(28)25-16-14-26(22(16)29)15-10-8-7-9-11-15/h7-13,16-20,27H,14H2,1-6H3,(H,25,28)/t16?,17-,18+,19-,20-/m1/s1
InChIKeyHDIDKKYRBXBENJ-DGDSNLKDSA-N
XLogP2.02
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide?
The IUPAC name of (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide (CID 69070991) is (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide.
What is the SMILES notation for (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide?
The canonical SMILES for (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide is CO[C@@H](C(=O)NC1CN(c2ccccc2)C1=O)[C@@H]1OC(C)(C)O[C@H](C=CC(C)(C)C)[C@@H]1O.
What is the InChIKey of (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide?
The InChIKey is HDIDKKYRBXBENJ-DGDSNLKDSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-23(2,3)13-12-17-18(27)19(32-24(4,5)31-17)20(30-6)21(28)25-16-14-26(22(16)29)15-10-8-7-9-11-15/h7-13,16-20,27H,14H2,1-6H3,(H,25,28)/t16?,17-,18+,19-,20-/m1/s1.
What are the key properties of (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide?
(2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide has a molecular weight of 446.54 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5S,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxy-N-(2-oxo-1-phenylazetidin-3-yl)acetamide is sourced from PubChem (CID 69070991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).