N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide

C27H23NO6 — CID 108730745

IUPACN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccc(-c3cc(=O)c4cc(OC)ccc4o3)cc2)cc1
InChIInChI=1S/C27H23NO6/c1-32-20-9-5-17(6-10-20)23(29)12-14-27(31)28-19-7-3-18(4-8-19)26-16-24(30)22-15-21(33-2)11-13-25(22)34-26/h3-11,13,15-16H,12,14H2,1-2H3,(H,28,31)
InChIKeyYBRMTWDSPNNDOO-UHFFFAOYSA-N
MW457.48 g/mol
LogP5.08
Rot. Bonds8

About N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 108730745) has the molecular formula C27H23NO6 and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID108730745
Molecular FormulaC27H23NO6
Molecular Weight457.48 g/mol
Exact Mass457.15
IUPAC NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccc(-c3cc(=O)c4cc(OC)ccc4o3)cc2)cc1
InChIInChI=1S/C27H23NO6/c1-32-20-9-5-17(6-10-20)23(29)12-14-27(31)28-19-7-3-18(4-8-19)26-16-24(30)22-15-21(33-2)11-13-25(22)34-26/h3-11,13,15-16H,12,14H2,1-2H3,(H,28,31)
InChIKeyYBRMTWDSPNNDOO-UHFFFAOYSA-N
XLogP5.08
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide with MolForge

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Related Compounds

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108730744
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-(4-methylphenoxy)acetamide
CID 108730754
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
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
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
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]-3-phenoxybenzamide
CID 108730638
2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108730692
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 N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide (CID 108730745) is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)Nc2ccc(-c3cc(=O)c4cc(OC)ccc4o3)cc2)cc1.
What is the InChIKey of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is YBRMTWDSPNNDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO6/c1-32-20-9-5-17(6-10-20)23(29)12-14-27(31)28-19-7-3-18(4-8-19)26-16-24(30)22-15-21(33-2)11-13-25(22)34-26/h3-11,13,15-16H,12,14H2,1-2H3,(H,28,31).
What are the key properties of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 457.48 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 108730745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).