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

C22H23NO7 — CID 162675369

IUPACN-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide
SMILESO=C(CCCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)NO
InChIInChI=1S/C22H23NO7/c24-15-8-6-14(7-9-15)19-13-18(26)22-17(25)11-16(12-20(22)30-19)29-10-4-2-1-3-5-21(27)23-28/h6-9,11-13,24-25,28H,1-5,10H2,(H,23,27)
InChIKeyPFDOPNGFSLCRQJ-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.71
Rot. Bonds9

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

N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide (PubChem CID 162675369) has the molecular formula C22H23NO7 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide
PubChem CID162675369
Molecular FormulaC22H23NO7
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC NameN-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide
SMILESO=C(CCCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)NO
InChIInChI=1S/C22H23NO7/c24-15-8-6-14(7-9-15)19-13-18(26)22-17(25)11-16(12-20(22)30-19)29-10-4-2-1-3-5-21(27)23-28/h6-9,11-13,24-25,28H,1-5,10H2,(H,23,27)
InChIKeyPFDOPNGFSLCRQJ-UHFFFAOYSA-N
XLogP3.71
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.71
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-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide?
The IUPAC name of N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide (CID 162675369) is N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide.
What is the SMILES notation for N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide?
The canonical SMILES for N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide is O=C(CCCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)NO.
What is the InChIKey of N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide?
The InChIKey is PFDOPNGFSLCRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO7/c24-15-8-6-14(7-9-15)19-13-18(26)22-17(25)11-16(12-20(22)30-19)29-10-4-2-1-3-5-21(27)23-28/h6-9,11-13,24-25,28H,1-5,10H2,(H,23,27).
What are the key properties of N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide?
N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide has a molecular weight of 413.43 g/mol, XLogP of 3.71, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide is sourced from PubChem (CID 162675369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).