N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide

C23H25NO6 — CID 162642980

IUPACN-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide
SMILESO=C(CCCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NO
InChIInChI=1S/C23H25NO6/c25-18-13-17(29-12-8-3-1-2-7-11-22(27)24-28)14-21-23(18)19(26)15-20(30-21)16-9-5-4-6-10-16/h4-6,9-10,13-15,25,28H,1-3,7-8,11-12H2,(H,24,27)
InChIKeyDERIKMVRPKUIKM-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.39
Rot. Bonds10

About N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide

N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide (PubChem CID 162642980) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide.

Molecular Properties

Compound NameN-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide
PubChem CID162642980
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC NameN-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide
SMILESO=C(CCCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NO
InChIInChI=1S/C23H25NO6/c25-18-13-17(29-12-8-3-1-2-7-11-22(27)24-28)14-21-23(18)19(26)15-20(30-21)16-9-5-4-6-10-16/h4-6,9-10,13-15,25,28H,1-3,7-8,11-12H2,(H,24,27)
InChIKeyDERIKMVRPKUIKM-UHFFFAOYSA-N
XLogP4.39
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

Genistein
CID 5280961
Octabenzone
CID 15797
Apigenin
CID 5280443
Naringenin
CID 439246
Formononetin
CID 5280378
Kaempferol
CID 5280863
Daidzein
CID 5281708
Chrysin
CID 5281607
Galangin
CID 5281616
Biochanin A
CID 5280373
Liquiritigenin
CID 114829
(+)-Pinocembrin
CID 68071

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide?
The IUPAC name of N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide (CID 162642980) is N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide.
What is the SMILES notation for N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide?
The canonical SMILES for N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide is O=C(CCCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NO.
What is the InChIKey of N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide?
The InChIKey is DERIKMVRPKUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c25-18-13-17(29-12-8-3-1-2-7-11-22(27)24-28)14-21-23(18)19(26)15-20(30-21)16-9-5-4-6-10-16/h4-6,9-10,13-15,25,28H,1-3,7-8,11-12H2,(H,24,27).
What are the key properties of N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide?
N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide has a molecular weight of 411.45 g/mol, XLogP of 4.39, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide is sourced from PubChem (CID 162642980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).