N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide

C27H25NO4 — CID 46302988

IUPACN-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide
SMILESCCC(Oc1c(-c2ccccc2)oc2ccccc2c1=O)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C27H25NO4/c1-4-22(27(30)28-21-16-17(2)14-15-18(21)3)31-26-24(29)20-12-8-9-13-23(20)32-25(26)19-10-6-5-7-11-19/h5-16,22H,4H2,1-3H3,(H,28,30)
InChIKeyZIBCQAJSZOZNNH-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.87
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide

N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide (PubChem CID 46302988) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide
PubChem CID46302988
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide
SMILESCCC(Oc1c(-c2ccccc2)oc2ccccc2c1=O)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C27H25NO4/c1-4-22(27(30)28-21-16-17(2)14-15-18(21)3)31-26-24(29)20-12-8-9-13-23(20)32-25(26)19-10-6-5-7-11-19/h5-16,22H,4H2,1-3H3,(H,28,30)
InChIKeyZIBCQAJSZOZNNH-UHFFFAOYSA-N
XLogP5.87
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide
CID 46302984
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303067
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide
CID 46303370
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303374
N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide
CID 46303519
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303079
2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)butanamide
CID 46303153
2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chlorophenyl)butanamide
CID 46303143
2-[2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxybutanoylamino]-4,5-dimethylthiophene-3-carboxamide
CID 46303351
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide (CID 46302988) is N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide is CCC(Oc1c(-c2ccccc2)oc2ccccc2c1=O)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide?
The InChIKey is ZIBCQAJSZOZNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-4-22(27(30)28-21-16-17(2)14-15-18(21)3)31-26-24(29)20-12-8-9-13-23(20)32-25(26)19-10-6-5-7-11-19/h5-16,22H,4H2,1-3H3,(H,28,30).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide?
N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide has a molecular weight of 427.50 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide is sourced from PubChem (CID 46302988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).