N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide

C20H30N2O5 — CID 25066356

IUPACN-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide
SMILESO=C(CCCCCC1OCCCCCCOc2ccccc2NC1=O)NO
InChIInChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
InChIKeyWCTLKUHJSQSAOJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.42
Rot. Bonds6

About N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide

N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide (PubChem CID 25066356) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide
PubChem CID25066356
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC NameN-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide
SMILESO=C(CCCCCC1OCCCCCCOc2ccccc2NC1=O)NO
InChIInChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
InChIKeyWCTLKUHJSQSAOJ-UHFFFAOYSA-N
XLogP3.42
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.42
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-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide (CID 25066356) is N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide is O=C(CCCCCC1OCCCCCCOc2ccccc2NC1=O)NO.
What is the InChIKey of N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide?
The InChIKey is WCTLKUHJSQSAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23).
What are the key properties of N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide?
N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide has a molecular weight of 378.47 g/mol, XLogP of 3.42, 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-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide is sourced from PubChem (CID 25066356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).