2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate

C21H18NO8- — CID 7139399

IUPAC2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate
SMILESCCOc1ccccc1Oc1coc2cc(OCC(=O)NCC(=O)[O-])ccc2c1=O
InChIInChI=1S/C21H19NO8/c1-2-27-15-5-3-4-6-16(15)30-18-11-29-17-9-13(7-8-14(17)21(18)26)28-12-19(23)22-10-20(24)25/h3-9,11H,2,10,12H2,1H3,(H,22,23)(H,24,25)/p-1
InChIKeyPMPJMTPAMMMKDQ-UHFFFAOYSA-M
MW412.37 g/mol
LogP1.23
Rot. Bonds9

About 2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate

2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate (PubChem CID 7139399) has the molecular formula C21H18NO8- and a molecular weight of 412.37 g/mol. Its IUPAC name is 2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate.

Molecular Properties

Compound Name2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate
PubChem CID7139399
Molecular FormulaC21H18NO8-
Molecular Weight412.37 g/mol
Exact Mass412.10
IUPAC Name2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate
SMILESCCOc1ccccc1Oc1coc2cc(OCC(=O)NCC(=O)[O-])ccc2c1=O
InChIInChI=1S/C21H19NO8/c1-2-27-15-5-3-4-6-16(15)30-18-11-29-17-9-13(7-8-14(17)21(18)26)28-12-19(23)22-10-20(24)25/h3-9,11H,2,10,12H2,1H3,(H,22,23)(H,24,25)/p-1
InChIKeyPMPJMTPAMMMKDQ-UHFFFAOYSA-M
XLogP1.23
TPSA127.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one
CID 984812
2-[[2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
CID 7139404
3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid
CID 22682676
2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid
CID 45369763
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
CID 9372561
N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide
CID 1193132
2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 4672101
[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl] 2-oxochromene-3-carboxylate
CID 1179727
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide
CID 2484172
2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 2001934
N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 9372519

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate?
The IUPAC name of 2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate (CID 7139399) is 2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate.
What is the SMILES notation for 2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate?
The canonical SMILES for 2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate is CCOc1ccccc1Oc1coc2cc(OCC(=O)NCC(=O)[O-])ccc2c1=O.
What is the InChIKey of 2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate?
The InChIKey is PMPJMTPAMMMKDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19NO8/c1-2-27-15-5-3-4-6-16(15)30-18-11-29-17-9-13(7-8-14(17)21(18)26)28-12-19(23)22-10-20(24)25/h3-9,11H,2,10,12H2,1H3,(H,22,23)(H,24,25)/p-1.
What are the key properties of 2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate?
2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate has a molecular weight of 412.37 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate is sourced from PubChem (CID 7139399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).