N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide

C21H21NO7 — CID 162666119

IUPACN-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide
SMILESO=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)NO
InChIInChI=1S/C21H21NO7/c23-14-7-5-13(6-8-14)18-12-17(25)21-16(24)10-15(11-19(21)29-18)28-9-3-1-2-4-20(26)22-27/h5-8,10-12,23-24,27H,1-4,9H2,(H,22,26)
InChIKeySMWPALASEDDBTR-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.32
Rot. Bonds8

About N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide

N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide (PubChem CID 162666119) has the molecular formula C21H21NO7 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide
PubChem CID162666119
Molecular FormulaC21H21NO7
Molecular Weight399.40 g/mol
Exact Mass399.13
IUPAC NameN-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide
SMILESO=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)NO
InChIInChI=1S/C21H21NO7/c23-14-7-5-13(6-8-14)18-12-17(25)21-16(24)10-15(11-19(21)29-18)28-9-3-1-2-4-20(26)22-27/h5-8,10-12,23-24,27H,1-4,9H2,(H,22,26)
InChIKeySMWPALASEDDBTR-UHFFFAOYSA-N
XLogP3.32
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide?
The IUPAC name of N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide (CID 162666119) is N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide.
What is the SMILES notation for N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide?
The canonical SMILES for N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide is O=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)NO.
What is the InChIKey of N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide?
The InChIKey is SMWPALASEDDBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO7/c23-14-7-5-13(6-8-14)18-12-17(25)21-16(24)10-15(11-19(21)29-18)28-9-3-1-2-4-20(26)22-27/h5-8,10-12,23-24,27H,1-4,9H2,(H,22,26).
What are the key properties of N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide?
N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide has a molecular weight of 399.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide is sourced from PubChem (CID 162666119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).