N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide

C26H23NO5 — CID 108811249

IUPACN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)CCOc4ccc(C)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C26H23NO5/c1-17-3-9-20(10-4-17)31-14-13-26(29)27-19-7-5-18(6-8-19)25-16-23(28)22-15-21(30-2)11-12-24(22)32-25/h3-12,15-16H,13-14H2,1-2H3,(H,27,29)
InChIKeyUKMDMFVEOFRQLE-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.18
Rot. Bonds7

About N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide (PubChem CID 108811249) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
PubChem CID108811249
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)CCOc4ccc(C)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C26H23NO5/c1-17-3-9-20(10-4-17)31-14-13-26(29)27-19-7-5-18(6-8-19)25-16-23(28)22-15-21(30-2)11-12-24(22)32-25/h3-12,15-16H,13-14H2,1-2H3,(H,27,29)
InChIKeyUKMDMFVEOFRQLE-UHFFFAOYSA-N
XLogP5.18
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.18
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
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]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide
CID 108754377
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
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
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730722
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108730692
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide (CID 108811249) is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide is COc1ccc2oc(-c3ccc(NC(=O)CCOc4ccc(C)cc4)cc3)cc(=O)c2c1.
What is the InChIKey of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide?
The InChIKey is UKMDMFVEOFRQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-17-3-9-20(10-4-17)31-14-13-26(29)27-19-7-5-18(6-8-19)25-16-23(28)22-15-21(30-2)11-12-24(22)32-25/h3-12,15-16H,13-14H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide?
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide has a molecular weight of 429.47 g/mol, XLogP of 5.18, 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]-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 108811249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).