N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide

C25H23NO5 — CID 46303519

IUPACN-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide
SMILESCCC(Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C25H23NO5/c1-4-19(25(28)26-17-12-11-15(2)16(3)14-17)30-24-22(27)18-8-5-6-9-20(18)31-23(24)21-10-7-13-29-21/h5-14,19H,4H2,1-3H3,(H,26,28)
InChIKeyCIWHIXZXWQDIJW-UHFFFAOYSA-N
MW417.46 g/mol
LogP5.47
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide

N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide (PubChem CID 46303519) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide
PubChem CID46303519
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide
SMILESCCC(Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C25H23NO5/c1-4-19(25(28)26-17-12-11-15(2)16(3)14-17)30-24-22(27)18-8-5-6-9-20(18)31-23(24)21-10-7-13-29-21/h5-14,19H,4H2,1-3H3,(H,26,28)
InChIKeyCIWHIXZXWQDIJW-UHFFFAOYSA-N
XLogP5.47
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.47
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
ethyl 4-[2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoylamino]benzoate
CID 46303511
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide
CID 46303370
N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide
CID 46302988
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835
2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chlorophenyl)butanamide
CID 46303143
N-(4-butylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303446
2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)butanamide
CID 46303153
N-[4-(diethylsulfamoyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303465
2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide
CID 21001500
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide (CID 46303519) is N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide is CCC(Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide?
The InChIKey is CIWHIXZXWQDIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-4-19(25(28)26-17-12-11-15(2)16(3)14-17)30-24-22(27)18-8-5-6-9-20(18)31-23(24)21-10-7-13-29-21/h5-14,19H,4H2,1-3H3,(H,26,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide?
N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide has a molecular weight of 417.46 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide is sourced from PubChem (CID 46303519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).