N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide

C23H21NO5 — CID 155137912

IUPACN-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide
SMILESCOc1cc(C)cc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C(C)C)c12
InChIInChI=1S/C23H21NO5/c1-12(2)23(26)24-21-14-7-5-6-8-16(14)29-22(21)15-11-19(25)28-18-10-13(3)9-17(27-4)20(15)18/h5-12H,1-4H3,(H,24,26)
InChIKeyXLSNJIYFZYOYMU-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.12
Rot. Bonds4

About N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide

N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide (PubChem CID 155137912) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide
PubChem CID155137912
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC NameN-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide
SMILESCOc1cc(C)cc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C(C)C)c12
InChIInChI=1S/C23H21NO5/c1-12(2)23(26)24-21-14-7-5-6-8-16(14)29-22(21)15-11-19(25)28-18-10-13(3)9-17(27-4)20(15)18/h5-12H,1-4H3,(H,24,26)
InChIKeyXLSNJIYFZYOYMU-UHFFFAOYSA-N
XLogP5.12
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6,7-dimethyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 8016023
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325275
methyl (2R)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxy-2-phenylacetate
CID 1304742
ethyl (2S)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxypropanoate
CID 982342
N-(2-cyano-1-benzofuran-3-yl)-2-methylpropanamide
CID 176860593
propan-2-yl 2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetate
CID 2888651
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide
CID 175380473
N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide
CID 4911162
4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
CID 135259598
methyl 2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate
CID 2945654
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634
methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate
CID 969730

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide (CID 155137912) is N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide is COc1cc(C)cc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C(C)C)c12.
What is the InChIKey of N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide?
The InChIKey is XLSNJIYFZYOYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-12(2)23(26)24-21-14-7-5-6-8-16(14)29-22(21)15-11-19(25)28-18-10-13(3)9-17(27-4)20(15)18/h5-12H,1-4H3,(H,24,26).
What are the key properties of N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide?
N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide has a molecular weight of 391.42 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide is sourced from PubChem (CID 155137912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).