N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide

C13H13NO6 — CID 134912070

IUPACN-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide
SMILESCOc1cc(OC)c2oc(=O)c(C(=O)NO)c(C)c2c1
InChIInChI=1S/C13H13NO6/c1-6-8-4-7(18-2)5-9(19-3)11(8)20-13(16)10(6)12(15)14-17/h4-5,17H,1-3H3,(H,14,15)
InChIKeyAFEBTDRQHWMSIT-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.24
Rot. Bonds3

About N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide

N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide (PubChem CID 134912070) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide
PubChem CID134912070
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC NameN-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide
SMILESCOc1cc(OC)c2oc(=O)c(C(=O)NO)c(C)c2c1
InChIInChI=1S/C13H13NO6/c1-6-8-4-7(18-2)5-9(19-3)11(8)20-13(16)10(6)12(15)14-17/h4-5,17H,1-3H3,(H,14,15)
InChIKeyAFEBTDRQHWMSIT-UHFFFAOYSA-N
XLogP1.24
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(7-methoxy-2,3-dimethyl-1-benzofuran-5-yl) hydrogen carbonate
CID 70592341
1,2-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 174874311
6,8-dimethoxy-2-(trifluoromethyl)chromen-4-one
CID 134828241
7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid
CID 23468813
N-(2,4-dimethoxyphenyl)-2-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 4967889
2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one
CID 69119541
5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide
CID 11089072
3-[(1S,2R)-1,2-dihydroxypropyl]-6,8-dimethoxychromen-2-one
CID 162998450
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 56763626
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4964837
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4837385

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide (CID 134912070) is N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide is COc1cc(OC)c2oc(=O)c(C(=O)NO)c(C)c2c1.
What is the InChIKey of N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide?
The InChIKey is AFEBTDRQHWMSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO6/c1-6-8-4-7(18-2)5-9(19-3)11(8)20-13(16)10(6)12(15)14-17/h4-5,17H,1-3H3,(H,14,15).
What are the key properties of N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide?
N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide has a molecular weight of 279.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6,8-dimethoxy-4-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 134912070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).