N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide

C27H25NO5 — CID 108730722

IUPACN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)COc4cccc(C(C)C)c4)cc3)cc(=O)c2c1
InChIInChI=1S/C27H25NO5/c1-17(2)19-5-4-6-22(13-19)32-16-27(30)28-20-9-7-18(8-10-20)26-15-24(29)23-14-21(31-3)11-12-25(23)33-26/h4-15,17H,16H2,1-3H3,(H,28,30)
InChIKeyOLXSHCXSYBKZRE-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.61
Rot. Bonds7

About N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 108730722) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID108730722
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)COc4cccc(C(C)C)c4)cc3)cc(=O)c2c1
InChIInChI=1S/C27H25NO5/c1-17(2)19-5-4-6-22(13-19)32-16-27(30)28-20-9-7-18(8-10-20)26-15-24(29)23-14-21(31-3)11-12-25(23)33-26/h4-15,17H,16H2,1-3H3,(H,28,30)
InChIKeyOLXSHCXSYBKZRE-UHFFFAOYSA-N
XLogP5.61
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide with MolForge

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Related Compounds

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
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-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide
CID 42506836
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide
CID 108754377
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
CID 108754317
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108730744

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide (CID 108730722) is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide is COc1ccc2oc(-c3ccc(NC(=O)COc4cccc(C(C)C)c4)cc3)cc(=O)c2c1.
What is the InChIKey of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is OLXSHCXSYBKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-17(2)19-5-4-6-22(13-19)32-16-27(30)28-20-9-7-18(8-10-20)26-15-24(29)23-14-21(31-3)11-12-25(23)33-26/h4-15,17H,16H2,1-3H3,(H,28,30).
What are the key properties of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 443.50 g/mol, XLogP of 5.61, 7 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-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 108730722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).