(1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide

C19H20N2O4 — CID 25263501

IUPAC(1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
SMILESO=C(NO)[C@@H]1O[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C[C@@H]1O2
InChIInChI=1S/C19H20N2O4/c22-19(20-23)18-16-11-21(12-17(24-16)25-18)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,23H,10-12H2,(H,20,22)/t16-,17-,18+/m0/s1
InChIKeyCFRKRBAYOCWWDQ-OKZBNKHCSA-N
MW340.38 g/mol
LogP1.78
Rot. Bonds4

About (1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide

(1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide (PubChem CID 25263501) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide.

Molecular Properties

Compound Name(1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
PubChem CID25263501
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
SMILESO=C(NO)[C@@H]1O[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C[C@@H]1O2
InChIInChI=1S/C19H20N2O4/c22-19(20-23)18-16-11-21(12-17(24-16)25-18)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,23H,10-12H2,(H,20,22)/t16-,17-,18+/m0/s1
InChIKeyCFRKRBAYOCWWDQ-OKZBNKHCSA-N
XLogP1.78
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The IUPAC name of (1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide (CID 25263501) is (1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide.
What is the SMILES notation for (1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The canonical SMILES for (1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide is O=C(NO)[C@@H]1O[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C[C@@H]1O2.
What is the InChIKey of (1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The InChIKey is CFRKRBAYOCWWDQ-OKZBNKHCSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-19(20-23)18-16-11-21(12-17(24-16)25-18)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,23H,10-12H2,(H,20,22)/t16-,17-,18+/m0/s1.
What are the key properties of (1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
(1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide is sourced from PubChem (CID 25263501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).