2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide

C27H25NO5 — CID 46303370

IUPAC2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide
SMILESCCC(Oc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C27H25NO5/c1-4-22(27(30)28-19-9-7-8-17(2)16-19)32-26-24(29)21-10-5-6-11-23(21)33-25(26)18-12-14-20(31-3)15-13-18/h5-16,22H,4H2,1-3H3,(H,28,30)
InChIKeyKOGSHOUBUQDSSJ-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.57
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide

2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide (PubChem CID 46303370) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide
PubChem CID46303370
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide
SMILESCCC(Oc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C27H25NO5/c1-4-22(27(30)28-19-9-7-8-17(2)16-19)32-26-24(29)21-10-5-6-11-23(21)33-25(26)18-12-14-20(31-3)15-13-18/h5-16,22H,4H2,1-3H3,(H,28,30)
InChIKeyKOGSHOUBUQDSSJ-UHFFFAOYSA-N
XLogP5.57
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 ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303374
2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide
CID 46302984
2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chlorophenyl)butanamide
CID 46303143
N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide
CID 46302988
2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)butanamide
CID 46303153
N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide
CID 46303519
N-(4-butylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303446
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303067
N-[4-(diethylsulfamoyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303465
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide
CID 46303341
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303079

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide (CID 46303370) is 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide is CCC(Oc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O)C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide?
The InChIKey is KOGSHOUBUQDSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-4-22(27(30)28-19-9-7-8-17(2)16-19)32-26-24(29)21-10-5-6-11-23(21)33-25(26)18-12-14-20(31-3)15-13-18/h5-16,22H,4H2,1-3H3,(H,28,30).
What are the key properties of 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide?
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide has a molecular weight of 443.50 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 46303370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).