methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate

C27H23NO8 — CID 3769565

IUPACmethyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)coc2c1
InChIInChI=1S/C27H23NO8/c1-33-27(32)22(13-17-7-9-18(29)10-8-17)28-25(30)16-34-20-11-12-21-23(14-20)35-15-24(26(21)31)36-19-5-3-2-4-6-19/h2-12,14-15,22,29H,13,16H2,1H3,(H,28,30)
InChIKeyCHUWLRDOGLGHOR-UHFFFAOYSA-N
MW489.48 g/mol
LogP3.57
Rot. Bonds9

About methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate

methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate (PubChem CID 3769565) has the molecular formula C27H23NO8 and a molecular weight of 489.48 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate
PubChem CID3769565
Molecular FormulaC27H23NO8
Molecular Weight489.48 g/mol
Exact Mass489.14
IUPAC Namemethyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)coc2c1
InChIInChI=1S/C27H23NO8/c1-33-27(32)22(13-17-7-9-18(29)10-8-17)28-25(30)16-34-20-11-12-21-23(14-20)35-15-24(26(21)31)36-19-5-3-2-4-6-19/h2-12,14-15,22,29H,13,16H2,1H3,(H,28,30)
InChIKeyCHUWLRDOGLGHOR-UHFFFAOYSA-N
XLogP3.57
TPSA124.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate with MolForge

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Related Compounds

benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide
CID 2484172
methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 2918253
(4-oxo-3-phenoxychromen-7-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 1287018
2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid
CID 45369763
(4-oxo-3-phenoxychromen-7-yl) 2-aminopropanoate
CID 21204069
methyl 2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1033940
(4-oxo-3-phenoxychromen-7-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 6578579
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 162959375
N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 9372519

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate?
The IUPAC name of methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate (CID 3769565) is methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate is COC(=O)C(Cc1ccc(O)cc1)NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)coc2c1.
What is the InChIKey of methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate?
The InChIKey is CHUWLRDOGLGHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO8/c1-33-27(32)22(13-17-7-9-18(29)10-8-17)28-25(30)16-34-20-11-12-21-23(14-20)35-15-24(26(21)31)36-19-5-3-2-4-6-19/h2-12,14-15,22,29H,13,16H2,1H3,(H,28,30).
What are the key properties of methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate?
methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate has a molecular weight of 489.48 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate is sourced from PubChem (CID 3769565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).