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

C18H15NO6 — CID 166379498

IUPAC2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(O)C(=O)Nc2ccc3oc(=O)cc(O)c3c2)c1
InChIInChI=1S/C18H15NO6/c1-24-12-4-2-3-10(7-12)17(22)18(23)19-11-5-6-15-13(8-11)14(20)9-16(21)25-15/h2-9,17,20,22H,1H3,(H,19,23)
InChIKeyBEVQYCOCRLXQFP-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.18
Rot. Bonds4

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

2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 166379498) has the molecular formula C18H15NO6 and a molecular weight of 341.32 g/mol. Its IUPAC name is 2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID166379498
Molecular FormulaC18H15NO6
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Name2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(O)C(=O)Nc2ccc3oc(=O)cc(O)c3c2)c1
InChIInChI=1S/C18H15NO6/c1-24-12-4-2-3-10(7-12)17(22)18(23)19-11-5-6-15-13(8-11)14(20)9-16(21)25-15/h2-9,17,20,22H,1H3,(H,19,23)
InChIKeyBEVQYCOCRLXQFP-UHFFFAOYSA-N
XLogP2.18
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-hydroxy-2-oxochromen-6-yl)amino]-2-oxoacetate
CID 88747657
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
(2S)-2-hydroxy-2-(3-methoxyphenyl)acetohydrazide
CID 124673307
methyl 4-hydroxy-2-oxochromene-6-carboxylate
CID 54690204
N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
CID 16504572
2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 146075407
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
N-dibenzofuran-3-yl-2-(3-methoxyphenoxy)propanamide
CID 133239850
(2R)-2-(3-methoxyphenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 97313994
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506248
6-tert-butyl-4-hydroxychromen-2-one
CID 54694576

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide (CID 166379498) is 2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(C(O)C(=O)Nc2ccc3oc(=O)cc(O)c3c2)c1.
What is the InChIKey of 2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is BEVQYCOCRLXQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6/c1-24-12-4-2-3-10(7-12)17(22)18(23)19-11-5-6-15-13(8-11)14(20)9-16(21)25-15/h2-9,17,20,22H,1H3,(H,19,23).
What are the key properties of 2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide?
2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 341.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 166379498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).