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

C19H17NO5 — CID 102027817

IUPACN-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1C(NC(C)=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C19H17NO5/c1-11(21)20-17(12-7-3-5-9-14(12)24-2)16-18(22)13-8-4-6-10-15(13)25-19(16)23/h3-10,17,22H,1-2H3,(H,20,21)
InChIKeyYMJUTRLTXSEJAM-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.73
Rot. Bonds4

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

N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide (PubChem CID 102027817) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide
PubChem CID102027817
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC NameN-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1C(NC(C)=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C19H17NO5/c1-11(21)20-17(12-7-3-5-9-14(12)24-2)16-18(22)13-8-4-6-10-15(13)25-19(16)23/h3-10,17,22H,1-2H3,(H,20,21)
InChIKeyYMJUTRLTXSEJAM-UHFFFAOYSA-N
XLogP2.73
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(2,3,4-trimethoxyphenyl)methyl]chromen-2-one
CID 54725152
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(2-propan-2-yloxyphenyl)methyl]chromen-2-one
CID 139833899
N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide
CID 165351053
methyl (3R)-3-(4-hydroxy-2-oxochromen-3-yl)butanoate
CID 71681617
4-hydroxy-3-[(3R)-2-methyl-5-oxohexan-3-yl]chromen-2-one
CID 102418785
ethanol;4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 87573197
N-[4-[bis(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]acetamide
CID 58550677
3-(4-hydroxy-2-oxochromen-3-yl)-3-(4-methoxyphenyl)propanoic acid
CID 54687528
sodium 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 54710741
dimethyl 2-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanedioate
CID 54735870
methyl 4-[bis(4-hydroxy-2-oxochromen-3-yl)methyl]benzoate
CID 54682609
methyl (3S)-3-(4-hydroxy-2-oxochromen-3-yl)-3-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]propanoate
CID 99992519

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide (CID 102027817) is N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide is COc1ccccc1C(NC(C)=O)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide?
The InChIKey is YMJUTRLTXSEJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11(21)20-17(12-7-3-5-9-14(12)24-2)16-18(22)13-8-4-6-10-15(13)25-19(16)23/h3-10,17,22H,1-2H3,(H,20,21).
What are the key properties of N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide?
N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 102027817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).