N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide

C18H15NO5 — CID 38997302

IUPACN-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide
SMILESCOc1cc(-c2cc(=O)c3cc(NC(C)=O)ccc3o2)ccc1O
InChIInChI=1S/C18H15NO5/c1-10(20)19-12-4-6-16-13(8-12)15(22)9-17(24-16)11-3-5-14(21)18(7-11)23-2/h3-9,21H,1-2H3,(H,19,20)
InChIKeyNOYUAUUPQHQQLD-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.13
Rot. Bonds3

About N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide

N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide (PubChem CID 38997302) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide
PubChem CID38997302
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC NameN-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide
SMILESCOc1cc(-c2cc(=O)c3cc(NC(C)=O)ccc3o2)ccc1O
InChIInChI=1S/C18H15NO5/c1-10(20)19-12-4-6-16-13(8-12)15(22)9-17(24-16)11-3-5-14(21)18(7-11)23-2/h3-9,21H,1-2H3,(H,19,20)
InChIKeyNOYUAUUPQHQQLD-UHFFFAOYSA-N
XLogP3.13
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxy-3-[2-[[(1S)-1-phenylethyl]carbamoyl]-4-(propanoylamino)phenoxy]phenyl]acetic acid
CID 56834987
3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide
CID 166626774
(E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2404472
Curcumin 5-8
CID 9321431
N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide
CID 25027417
N-[4-(4-hydroxyphenoxy)-3-methylphenyl]-3-methoxybenzamide
CID 60165333
N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide
CID 142727288
3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 142727293
N-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-chromen-6-yl]acetamide
CID 15512801
N-[3-methoxy-2-(3-methoxyphenyl)-4-oxo-chromen-6-yl]acetamide
CID 49863978
N-[2-(3-methoxyphenyl)-4-oxo-chromen-6-yl]acetamide
CID 49864135
N-(3-acetylphenyl)-2,4,5-trimethoxybenzamide
CID 4885308

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The IUPAC name of N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide (CID 38997302) is N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide.
What is the SMILES notation for N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The canonical SMILES for N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide is COc1cc(-c2cc(=O)c3cc(NC(C)=O)ccc3o2)ccc1O.
What is the InChIKey of N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The InChIKey is NOYUAUUPQHQQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-10(20)19-12-4-6-16-13(8-12)15(22)9-17(24-16)11-3-5-14(21)18(7-11)23-2/h3-9,21H,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide has a molecular weight of 325.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]acetamide is sourced from PubChem (CID 38997302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).