N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide

C19H28N2O5 — CID 25066355

IUPACN-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide
SMILESO=C(CCCCCC1OCCCCCOc2ccccc2NC1=O)NO
InChIInChI=1S/C19H28N2O5/c22-18(21-24)12-4-1-3-11-17-19(23)20-15-9-5-6-10-16(15)25-13-7-2-8-14-26-17/h5-6,9-10,17,24H,1-4,7-8,11-14H2,(H,20,23)(H,21,22)
InChIKeyLOHSCPHJUJZDDV-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.03
Rot. Bonds6

About N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide

N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide (PubChem CID 25066355) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide
PubChem CID25066355
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide
SMILESO=C(CCCCCC1OCCCCCOc2ccccc2NC1=O)NO
InChIInChI=1S/C19H28N2O5/c22-18(21-24)12-4-1-3-11-17-19(23)20-15-9-5-6-10-16(15)25-13-7-2-8-14-26-17/h5-6,9-10,17,24H,1-4,7-8,11-14H2,(H,20,23)(H,21,22)
InChIKeyLOHSCPHJUJZDDV-UHFFFAOYSA-N
XLogP3.03
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide (CID 25066355) is N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide is O=C(CCCCCC1OCCCCCOc2ccccc2NC1=O)NO.
What is the InChIKey of N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide?
The InChIKey is LOHSCPHJUJZDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c22-18(21-24)12-4-1-3-11-17-19(23)20-15-9-5-6-10-16(15)25-13-7-2-8-14-26-17/h5-6,9-10,17,24H,1-4,7-8,11-14H2,(H,20,23)(H,21,22).
What are the key properties of N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide?
N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide has a molecular weight of 364.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(3-oxo-5,11-dioxa-2-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-4-yl)hexanamide is sourced from PubChem (CID 25066355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).