N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide

C17H20N2O5 — CID 86581290

IUPACN'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccc2oc(=O)ccc2c1)NO
InChIInChI=1S/C17H20N2O5/c20-15(5-3-1-2-4-6-16(21)19-23)18-13-8-9-14-12(11-13)7-10-17(22)24-14/h7-11,23H,1-6H2,(H,18,20)(H,19,21)
InChIKeyXFVSFFOTFDOHEP-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.58
Rot. Bonds8

About N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide

N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide (PubChem CID 86581290) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
PubChem CID86581290
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC NameN'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccc2oc(=O)ccc2c1)NO
InChIInChI=1S/C17H20N2O5/c20-15(5-3-1-2-4-6-16(21)19-23)18-13-8-9-14-12(11-13)7-10-17(22)24-14/h7-11,23H,1-6H2,(H,18,20)(H,19,21)
InChIKeyXFVSFFOTFDOHEP-UHFFFAOYSA-N
XLogP2.58
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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

N-hydroxy-6-(2-oxochromen-6-yl)oxyhexanamide
CID 86580851
N-(2-oxochromen-6-yl)-3-phenylsulfanylpropanamide
CID 55977915
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
N-[(2-oxochromen-6-yl)carbamothioyl]hexanamide
CID 2958923
(2-oxochromen-6-yl)carbamic acid
CID 18427920
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632
2-(2-methoxyethoxy)-N-(2-oxochromen-6-yl)acetamide
CID 60580990
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 45495167
2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide
CID 3978190
2-[bis[2-[carboxymethyl-[2-oxo-2-[(2-oxochromen-6-yl)amino]ethyl]amino]ethyl]amino]acetic acid
CID 102234883
1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea
CID 99832234
2-methyl-N-(2-oxochromen-6-yl)butanamide
CID 47294321

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide?
The IUPAC name of N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide (CID 86581290) is N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide is O=C(CCCCCCC(=O)Nc1ccc2oc(=O)ccc2c1)NO.
What is the InChIKey of N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide?
The InChIKey is XFVSFFOTFDOHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-15(5-3-1-2-4-6-16(21)19-23)18-13-8-9-14-12(11-13)7-10-17(22)24-14/h7-11,23H,1-6H2,(H,18,20)(H,19,21).
What are the key properties of N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide?
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide has a molecular weight of 332.36 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide is sourced from PubChem (CID 86581290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).