2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide

C26H23NO5 — CID 108730753

IUPAC2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)cc(=O)c2c1
InChIInChI=1S/C26H23NO5/c1-16-10-17(2)12-21(11-16)31-15-26(29)27-19-6-4-18(5-7-19)25-14-23(28)22-13-20(30-3)8-9-24(22)32-25/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyZBDHCOKUKMOQES-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.10
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide (PubChem CID 108730753) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
PubChem CID108730753
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)cc(=O)c2c1
InChIInChI=1S/C26H23NO5/c1-16-10-17(2)12-21(11-16)31-15-26(29)27-19-6-4-18(5-7-19)25-14-23(28)22-13-20(30-3)8-9-24(22)32-25/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyZBDHCOKUKMOQES-UHFFFAOYSA-N
XLogP5.10
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
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
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
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
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
CID 108754317

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide (CID 108730753) is 2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide is COc1ccc2oc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)cc(=O)c2c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide?
The InChIKey is ZBDHCOKUKMOQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-16-10-17(2)12-21(11-16)31-15-26(29)27-19-6-4-18(5-7-19)25-14-23(28)22-13-20(30-3)8-9-24(22)32-25/h4-14H,15H2,1-3H3,(H,27,29).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide has a molecular weight of 429.47 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide is sourced from PubChem (CID 108730753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).