N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide

C21H32N2O5 — CID 25066547

IUPACN-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide
SMILESO=C(CCCCCC1OCCCCCCCOc2ccccc2NC1=O)NO
InChIInChI=1S/C21H32N2O5/c24-20(23-26)14-6-4-5-13-19-21(25)22-17-11-7-8-12-18(17)27-15-9-2-1-3-10-16-28-19/h7-8,11-12,19,26H,1-6,9-10,13-16H2,(H,22,25)(H,23,24)
InChIKeyHONLBMJVWSMASP-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.81
Rot. Bonds6

About N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide

N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide (PubChem CID 25066547) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide
PubChem CID25066547
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC NameN-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide
SMILESO=C(CCCCCC1OCCCCCCCOc2ccccc2NC1=O)NO
InChIInChI=1S/C21H32N2O5/c24-20(23-26)14-6-4-5-13-19-21(25)22-17-11-7-8-12-18(17)27-15-9-2-1-3-10-16-28-19/h7-8,11-12,19,26H,1-6,9-10,13-16H2,(H,22,25)(H,23,24)
InChIKeyHONLBMJVWSMASP-UHFFFAOYSA-N
XLogP3.81
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.81
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-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide (CID 25066547) is N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide is O=C(CCCCCC1OCCCCCCCOc2ccccc2NC1=O)NO.
What is the InChIKey of N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide?
The InChIKey is HONLBMJVWSMASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c24-20(23-26)14-6-4-5-13-19-21(25)22-17-11-7-8-12-18(17)27-15-9-2-1-3-10-16-28-19/h7-8,11-12,19,26H,1-6,9-10,13-16H2,(H,22,25)(H,23,24).
What are the key properties of N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide?
N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide has a molecular weight of 392.50 g/mol, XLogP of 3.81, 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-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide is sourced from PubChem (CID 25066547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).