N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide

C16H22N2O4 — CID 138738676

IUPACN-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide
SMILESCC1Cc2ccc(cc2)OCCCC(C(=O)NO)CC(=O)N1
InChIInChI=1S/C16H22N2O4/c1-11-9-12-4-6-14(7-5-12)22-8-2-3-13(16(20)18-21)10-15(19)17-11/h4-7,11,13,21H,2-3,8-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyAAOVUQQLNVAOGA-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.42
Rot. Bonds1

About N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide

N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide (PubChem CID 138738676) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide
PubChem CID138738676
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide
SMILESCC1Cc2ccc(cc2)OCCCC(C(=O)NO)CC(=O)N1
InChIInChI=1S/C16H22N2O4/c1-11-9-12-4-6-14(7-5-12)22-8-2-3-13(16(20)18-21)10-15(19)17-11/h4-7,11,13,21H,2-3,8-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyAAOVUQQLNVAOGA-UHFFFAOYSA-N
XLogP1.42
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?
The IUPAC name of N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide (CID 138738676) is N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide.
What is the SMILES notation for N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?
The canonical SMILES for N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide is CC1Cc2ccc(cc2)OCCCC(C(=O)NO)CC(=O)N1.
What is the InChIKey of N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?
The InChIKey is AAOVUQQLNVAOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-9-12-4-6-14(7-5-12)22-8-2-3-13(16(20)18-21)10-15(19)17-11/h4-7,11,13,21H,2-3,8-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?
N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-10-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide is sourced from PubChem (CID 138738676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).