2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide

C27H25NO5 — CID 46303341

IUPAC2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C27H25NO5/c1-18(27(30)28-17-16-19-8-4-3-5-9-19)32-26-24(29)22-10-6-7-11-23(22)33-25(26)20-12-14-21(31-2)15-13-20/h3-15,18H,16-17H2,1-2H3,(H,28,30)
InChIKeyFGTCORARBHMNCB-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.59
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide

2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide (PubChem CID 46303341) 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-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide
PubChem CID46303341
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C27H25NO5/c1-18(27(30)28-17-16-19-8-4-3-5-9-19)32-26-24(29)22-10-6-7-11-23(22)33-25(26)20-12-14-21(31-2)15-13-20/h3-15,18H,16-17H2,1-2H3,(H,28,30)
InChIKeyFGTCORARBHMNCB-UHFFFAOYSA-N
XLogP4.59
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303338
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303344
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
methyl 2-[2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 5172607
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303374
ethyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]propanoate
CID 57338478
N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303054
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8730993
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(4-methoxyphenyl)acetate
CID 46619885
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 3316849

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide (CID 46303341) is 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide is COc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide?
The InChIKey is FGTCORARBHMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-18(27(30)28-17-16-19-8-4-3-5-9-19)32-26-24(29)22-10-6-7-11-23(22)33-25(26)20-12-14-21(31-2)15-13-20/h3-15,18H,16-17H2,1-2H3,(H,28,30).
What are the key properties of 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide?
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide has a molecular weight of 443.50 g/mol, XLogP of 4.59, 8 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-(2-phenylethyl)propanamide is sourced from PubChem (CID 46303341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).