4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide

C29H29NO5 — CID 108754323

IUPAC4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(-c3cc(=O)c4cc(OC)ccc4o3)cc2)cc1
InChIInChI=1S/C29H29NO5/c1-3-4-5-6-17-34-23-13-9-21(10-14-23)29(32)30-22-11-7-20(8-12-22)28-19-26(31)25-18-24(33-2)15-16-27(25)35-28/h7-16,18-19H,3-6,17H2,1-2H3,(H,30,32)
InChIKeyVUKAEHZEIANFKN-UHFFFAOYSA-N
MW471.55 g/mol
LogP6.68
Rot. Bonds10

About 4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide

4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide (PubChem CID 108754323) has the molecular formula C29H29NO5 and a molecular weight of 471.55 g/mol. Its IUPAC name is 4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
PubChem CID108754323
Molecular FormulaC29H29NO5
Molecular Weight471.55 g/mol
Exact Mass471.20
IUPAC Name4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(-c3cc(=O)c4cc(OC)ccc4o3)cc2)cc1
InChIInChI=1S/C29H29NO5/c1-3-4-5-6-17-34-23-13-9-21(10-14-23)29(32)30-22-11-7-20(8-12-22)28-19-26(31)25-18-24(33-2)15-16-27(25)35-28/h7-16,18-19H,3-6,17H2,1-2H3,(H,30,32)
InChIKeyVUKAEHZEIANFKN-UHFFFAOYSA-N
XLogP6.68
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790185
2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108730692
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
2-(4-nonoxyphenyl)chromen-4-one
CID 10570795
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide?
The IUPAC name of 4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide (CID 108754323) is 4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide?
The canonical SMILES for 4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide is CCCCCCOc1ccc(C(=O)Nc2ccc(-c3cc(=O)c4cc(OC)ccc4o3)cc2)cc1.
What is the InChIKey of 4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide?
The InChIKey is VUKAEHZEIANFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO5/c1-3-4-5-6-17-34-23-13-9-21(10-14-23)29(32)30-22-11-7-20(8-12-22)28-19-26(31)25-18-24(33-2)15-16-27(25)35-28/h7-16,18-19H,3-6,17H2,1-2H3,(H,30,32).
What are the key properties of 4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide?
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide has a molecular weight of 471.55 g/mol, XLogP of 6.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide is sourced from PubChem (CID 108754323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).