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

C22H23NO6 — CID 162667783

IUPACN-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide
SMILESO=C(CCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NO
InChIInChI=1S/C22H23NO6/c24-17-12-16(28-11-7-2-1-6-10-21(26)23-27)13-20-22(17)18(25)14-19(29-20)15-8-4-3-5-9-15/h3-5,8-9,12-14,24,27H,1-2,6-7,10-11H2,(H,23,26)
InChIKeyMHPQNQFOEZRIJE-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.00
Rot. Bonds9

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

N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide (PubChem CID 162667783) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide
PubChem CID162667783
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC NameN-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide
SMILESO=C(CCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NO
InChIInChI=1S/C22H23NO6/c24-17-12-16(28-11-7-2-1-6-10-21(26)23-27)13-20-22(17)18(25)14-19(29-20)15-8-4-3-5-9-15/h3-5,8-9,12-14,24,27H,1-2,6-7,10-11H2,(H,23,26)
InChIKeyMHPQNQFOEZRIJE-UHFFFAOYSA-N
XLogP4.00
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.00
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'}

Analyze N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-4-oxo-2-phenylchromen-7-yl)oxyheptanamide?
The IUPAC name of N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide (CID 162667783) is N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide.
What is the SMILES notation for N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide?
The canonical SMILES for N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide is O=C(CCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NO.
What is the InChIKey of N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide?
The InChIKey is MHPQNQFOEZRIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c24-17-12-16(28-11-7-2-1-6-10-21(26)23-27)13-20-22(17)18(25)14-19(29-20)15-8-4-3-5-9-15/h3-5,8-9,12-14,24,27H,1-2,6-7,10-11H2,(H,23,26).
What are the key properties of N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide?
N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide has a molecular weight of 397.43 g/mol, XLogP of 4.00, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide is sourced from PubChem (CID 162667783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).