2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide

C27H25NO5 — CID 1193507

IUPAC2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1
InChIInChI=1S/C27H25NO5/c1-4-19-7-5-6-8-22(19)28-26(29)16-31-20-11-12-21-24(14-20)32-15-25(27(21)30)33-23-13-17(2)9-10-18(23)3/h5-15H,4,16H2,1-3H3,(H,28,29)
InChIKeySAAXXJNFEVIEML-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.78
Rot. Bonds7

About 2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide

2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide (PubChem CID 1193507) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide
PubChem CID1193507
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1
InChIInChI=1S/C27H25NO5/c1-4-19-7-5-6-8-22(19)28-26(29)16-31-20-11-12-21-24(14-20)32-15-25(27(21)30)33-23-13-17(2)9-10-18(23)3/h5-15H,4,16H2,1-3H3,(H,28,29)
InChIKeySAAXXJNFEVIEML-UHFFFAOYSA-N
XLogP5.78
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 ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-{2-[(5-hydroxy-2-{[(4-methoxyphenyl)methyl]carbamoyl}-4-oxo-4H-chromen-7-yl)oxy]ethyl}-2-methoxyphenyl)carbamoyl]formic acid
CID 16756067
3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide
CID 166626774
2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetylamino]-benzoic acid
CID 1082766
N1-(2-methylphenyl)-2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetamide
CID 2728610
2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide
CID 10320108
6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57399711
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]propanamide
CID 118060425
(E)-3-[3-(benzylamino)-4-methoxyphenyl]-1-(5-methoxy-2,2-dimethylchromen-8-yl)prop-2-en-1-one
CID 118060599
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 118060721
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 118060843
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]-2-methylpropanamide
CID 118060866
2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 142727316

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide (CID 1193507) is 2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1.
What is the InChIKey of 2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide?
The InChIKey is SAAXXJNFEVIEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-4-19-7-5-6-8-22(19)28-26(29)16-31-20-11-12-21-24(14-20)32-15-25(27(21)30)33-23-13-17(2)9-10-18(23)3/h5-15H,4,16H2,1-3H3,(H,28,29).
What are the key properties of 2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide?
2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide has a molecular weight of 443.50 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 1193507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).