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

C18H15NO5 — CID 15512801

IUPACN-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
SMILESCOc1ccc(-c2oc3ccc(NC(C)=O)cc3c(=O)c2O)cc1
InChIInChI=1S/C18H15NO5/c1-10(20)19-12-5-8-15-14(9-12)16(21)17(22)18(24-15)11-3-6-13(23-2)7-4-11/h3-9,22H,1-2H3,(H,19,20)
InChIKeyIGSCJXKUYXPPGE-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.13
Rot. Bonds3

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

N-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide (PubChem CID 15512801) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
PubChem CID15512801
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC NameN-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
SMILESCOc1ccc(-c2oc3ccc(NC(C)=O)cc3c(=O)c2O)cc1
InChIInChI=1S/C18H15NO5/c1-10(20)19-12-5-8-15-14(9-12)16(21)17(22)18(24-15)11-3-6-13(23-2)7-4-11/h3-9,22H,1-2H3,(H,19,20)
InChIKeyIGSCJXKUYXPPGE-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

N-(4-Ethoxyphenyl)-2-hydroxybenzamide
CID 94777
N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
3-[(4-Butoxybenzoyl)amino]benzoic acid
CID 1712309
N-(3,4-dihydroxyphenyl)-4-oxochromene-2-carboxamide
CID 25027421
N-[3-hydroxy-4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-6-yl]acetamide
CID 49864185
5-amino-2-ethoxy-N-(3-trifluoromethylphenyl)benzamide
CID 52913206
N-(3-Acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide
CID 60836
N-(3-acetylphenyl)-4-oxo-4H-chromene-2-carboxamide
CID 895668
N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide
CID 2527725
N-(3-methylphenyl)-4-oxo-4H-chromene-2-carboxamide
CID 16390397
6-methyl-N-(3-methylphenyl)-4-oxochromene-3-carboxamide
CID 137655437
N-(4-hydroxyphenyl)-6-methyl-4-oxochromene-3-carboxamide
CID 137656002

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The IUPAC name of N-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide (CID 15512801) is N-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide.
What is the SMILES notation for N-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The canonical SMILES for N-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide is COc1ccc(-c2oc3ccc(NC(C)=O)cc3c(=O)c2O)cc1.
What is the InChIKey of N-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The InChIKey is IGSCJXKUYXPPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-10(20)19-12-5-8-15-14(9-12)16(21)17(22)18(24-15)11-3-6-13(23-2)7-4-11/h3-9,22H,1-2H3,(H,19,20).
What are the key properties of N-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
N-[3-hydroxy-2-(4-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-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide is sourced from PubChem (CID 15512801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).