N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide

C17H13NO5 — CID 25027417

IUPACN-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
InChIInChI=1S/C17H13NO5/c1-22-15-7-6-10(8-13(15)19)18-17(21)12-9-23-14-5-3-2-4-11(14)16(12)20/h2-9,19H,1H3,(H,18,21)
InChIKeyMSBRYHZHOXWBPK-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.76
Rot. Bonds3

About N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide

N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide (PubChem CID 25027417) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide
PubChem CID25027417
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC NameN-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
InChIInChI=1S/C17H13NO5/c1-22-15-7-6-10(8-13(15)19)18-17(21)12-9-23-14-5-3-2-4-11(14)16(12)20/h2-9,19H,1H3,(H,18,21)
InChIKeyMSBRYHZHOXWBPK-UHFFFAOYSA-N
XLogP2.76
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Methoxyphenyl)-2-hydroxybenzamide
CID 478806
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
N-(3,4-dihydroxyphenyl)-4-oxochromene-3-carboxamide
CID 24894016
N-(3,4-dihydroxyphenyl)-4-oxochromene-2-carboxamide
CID 25027421
N-{4-Hydroxy-3-[(propan-2-yl)oxy]phenyl}-2-(trifluoromethyl)benzamide
CID 71327773
N-(4-Hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide
CID 71327774
N-(3-fluorophenyl)-4-oxochromene-3-carboxamide
CID 133053560
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzamide
CID 786352
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
CID 652336
N-(1,3-benzodioxol-5-yl)-2-methoxybenzamide
CID 673511
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 730783

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide (CID 25027417) is N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide is COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide?
The InChIKey is MSBRYHZHOXWBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c1-22-15-7-6-10(8-13(15)19)18-17(21)12-9-23-14-5-3-2-4-11(14)16(12)20/h2-9,19H,1H3,(H,18,21).
What are the key properties of N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide?
N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 25027417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).