N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide

C25H21NO5 — CID 108730754

IUPACN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C25H21NO5/c1-16-3-9-19(10-4-16)30-15-25(28)26-18-7-5-17(6-8-18)24-14-22(27)21-13-20(29-2)11-12-23(21)31-24/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyWRJRHLLAHVWBFI-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.79
Rot. Bonds6

About N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 108730754) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID108730754
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C25H21NO5/c1-16-3-9-19(10-4-16)30-15-25(28)26-18-7-5-17(6-8-18)24-14-22(27)21-13-20(29-2)11-12-23(21)31-24/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyWRJRHLLAHVWBFI-UHFFFAOYSA-N
XLogP4.79
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730722
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
N-(4-methoxyphenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587589
N-(4-fluorophenyl)-2-(4-oxo-2-phenylchromen-6-yl)oxyacetamide
CID 44587554
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide
CID 108754377
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108730744
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide (CID 108730754) is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide is COc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)cc(=O)c2c1.
What is the InChIKey of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is WRJRHLLAHVWBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-16-3-9-19(10-4-16)30-15-25(28)26-18-7-5-17(6-8-18)24-14-22(27)21-13-20(29-2)11-12-23(21)31-24/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 415.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 108730754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).