2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide

C25H21NO4 — CID 46302984

IUPAC2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide
SMILESCCC(Oc1c(-c2ccccc2)oc2ccccc2c1=O)C(=O)Nc1ccccc1
InChIInChI=1S/C25H21NO4/c1-2-20(25(28)26-18-13-7-4-8-14-18)29-24-22(27)19-15-9-10-16-21(19)30-23(24)17-11-5-3-6-12-17/h3-16,20H,2H2,1H3,(H,26,28)
InChIKeyMEHRYHCYDGPRPM-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.26
Rot. Bonds6

About 2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide

2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide (PubChem CID 46302984) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide.

Molecular Properties

Compound Name2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide
PubChem CID46302984
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide
SMILESCCC(Oc1c(-c2ccccc2)oc2ccccc2c1=O)C(=O)Nc1ccccc1
InChIInChI=1S/C25H21NO4/c1-2-20(25(28)26-18-13-7-4-8-14-18)29-24-22(27)19-15-9-10-16-21(19)30-23(24)17-11-5-3-6-12-17/h3-16,20H,2H2,1H3,(H,26,28)
InChIKeyMEHRYHCYDGPRPM-UHFFFAOYSA-N
XLogP5.26
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)butanamide
CID 46303153
N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide
CID 46302988
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide
CID 46303370
2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chlorophenyl)butanamide
CID 46303143
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303374
N-(4-butylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303446
N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide
CID 46303519
N-[4-(diethylsulfamoyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303465
2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
CID 46303163
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303079
2-[2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxybutanoylamino]-4,5-dimethylthiophene-3-carboxamide
CID 46303351
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303067

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide?
The IUPAC name of 2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide (CID 46302984) is 2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide.
What is the SMILES notation for 2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide?
The canonical SMILES for 2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide is CCC(Oc1c(-c2ccccc2)oc2ccccc2c1=O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide?
The InChIKey is MEHRYHCYDGPRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-2-20(25(28)26-18-13-7-4-8-14-18)29-24-22(27)19-15-9-10-16-21(19)30-23(24)17-11-5-3-6-12-17/h3-16,20H,2H2,1H3,(H,26,28).
What are the key properties of 2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide?
2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide has a molecular weight of 399.45 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide is sourced from PubChem (CID 46302984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).