8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide

C28H36N2O7 — CID 162668963

IUPAC8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
SMILESCN(C)CCCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCCCC(=O)NO)cc3o2)cc1
InChIInChI=1S/C28H36N2O7/c1-30(2)14-8-16-35-21-12-10-20(11-13-21)25-19-24(32)28-23(31)17-22(18-26(28)37-25)36-15-7-5-3-4-6-9-27(33)29-34/h10-13,17-19,31,34H,3-9,14-16H2,1-2H3,(H,29,33)
InChIKeyIMIKOWMYJWWGJS-UHFFFAOYSA-N
MW512.60 g/mol
LogP4.72
Rot. Bonds15

About 8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide

8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide (PubChem CID 162668963) has the molecular formula C28H36N2O7 and a molecular weight of 512.60 g/mol. Its IUPAC name is 8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide.

Molecular Properties

Compound Name8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
PubChem CID162668963
Molecular FormulaC28H36N2O7
Molecular Weight512.60 g/mol
Exact Mass512.25
IUPAC Name8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
SMILESCN(C)CCCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCCCC(=O)NO)cc3o2)cc1
InChIInChI=1S/C28H36N2O7/c1-30(2)14-8-16-35-21-12-10-20(11-13-21)25-19-24(32)28-23(31)17-22(18-26(28)37-25)36-15-7-5-3-4-6-9-27(33)29-34/h10-13,17-19,31,34H,3-9,14-16H2,1-2H3,(H,29,33)
InChIKeyIMIKOWMYJWWGJS-UHFFFAOYSA-N
XLogP4.72
TPSA121.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.60
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 159103073
N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide
CID 162676107
N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride
CID 162676106
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
5-hydroxy-7-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
CID 131859007
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one
CID 86582075
[4-(5-hydroxy-4-oxo-7-propanoyloxychromen-2-yl)phenyl] propanoate
CID 146662894
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide
CID 46231884

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide?
The IUPAC name of 8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide (CID 162668963) is 8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide.
What is the SMILES notation for 8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide?
The canonical SMILES for 8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide is CN(C)CCCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCCCC(=O)NO)cc3o2)cc1.
What is the InChIKey of 8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide?
The InChIKey is IMIKOWMYJWWGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O7/c1-30(2)14-8-16-35-21-12-10-20(11-13-21)25-19-24(32)28-23(31)17-22(18-26(28)37-25)36-15-7-5-3-4-6-9-27(33)29-34/h10-13,17-19,31,34H,3-9,14-16H2,1-2H3,(H,29,33).
What are the key properties of 8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide?
8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide has a molecular weight of 512.60 g/mol, XLogP of 4.72, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide is sourced from PubChem (CID 162668963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).