2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide

C24H19NO5 — CID 40544927

IUPAC2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C24H19NO5/c1-15-7-9-17(10-8-15)25-23(28)14-29-18-11-19(26)24-20(27)13-21(30-22(24)12-18)16-5-3-2-4-6-16/h2-13,26H,14H2,1H3,(H,25,28)
InChIKeyBZAZLSXXIKKUJR-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.49
Rot. Bonds5

About 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide

2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide (PubChem CID 40544927) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide
PubChem CID40544927
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C24H19NO5/c1-15-7-9-17(10-8-15)25-23(28)14-29-18-11-19(26)24-20(27)13-21(30-22(24)12-18)16-5-3-2-4-6-16/h2-13,26H,14H2,1H3,(H,25,28)
InChIKeyBZAZLSXXIKKUJR-UHFFFAOYSA-N
XLogP4.49
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide
CID 60836
[(4-{2-[(5-hydroxy-2-{[(4-methoxyphenyl)methyl]carbamoyl}-4-oxo-4H-chromen-7-yl)oxy]ethyl}-2-methoxyphenyl)carbamoyl]formic acid
CID 16756067
4-(3-Morpholinopropoxy)-N-(m-tolyl)-2-hydroxybenzamide (10a)
CID 91937890
2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetylamino]-benzoic acid
CID 1082766
N1-(2-methylphenyl)-2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetamide
CID 2728610
2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495377
2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide
CID 10320108
Eltrombopag Impurity 11
CID 44817924
N-[(2S)-4-(benzylamino)-3,4-dioxo-1-phenylbutan-2-yl]-7-hydroxy-3-methyl-4-oxochromene-2-carboxamide
CID 53231151
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]propanamide
CID 118060425
(E)-3-[3-(benzylamino)-4-methoxyphenyl]-1-(5-methoxy-2,2-dimethylchromen-8-yl)prop-2-en-1-one
CID 118060599
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 118060721

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide (CID 40544927) is 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1.
What is the InChIKey of 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide?
The InChIKey is BZAZLSXXIKKUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-15-7-9-17(10-8-15)25-23(28)14-29-18-11-19(26)24-20(27)13-21(30-22(24)12-18)16-5-3-2-4-6-16/h2-13,26H,14H2,1H3,(H,25,28).
What are the key properties of 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide?
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide has a molecular weight of 401.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 40544927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).