methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate

C21H24N2O6 — CID 55750199

IUPACmethyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
SMILESCCCOc1ccc(OCC(=O)Nc2cccc(C(=O)NCC(=O)OC)c2)cc1
InChIInChI=1S/C21H24N2O6/c1-3-11-28-17-7-9-18(10-8-17)29-14-19(24)23-16-6-4-5-15(12-16)21(26)22-13-20(25)27-2/h4-10,12H,3,11,13-14H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyAZJGCGSNAGXZPY-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.40
Rot. Bonds10

About methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate

methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate (PubChem CID 55750199) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
PubChem CID55750199
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Namemethyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
SMILESCCCOc1ccc(OCC(=O)Nc2cccc(C(=O)NCC(=O)OC)c2)cc1
InChIInChI=1S/C21H24N2O6/c1-3-11-28-17-7-9-18(10-8-17)29-14-19(24)23-16-6-4-5-15(12-16)21(26)22-13-20(25)27-2/h4-10,12H,3,11,13-14H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyAZJGCGSNAGXZPY-UHFFFAOYSA-N
XLogP2.40
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate
CID 55779558
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate
CID 55781621
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
N-(3-hydroxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 78783405
methyl 2-[[3-(octanoylamino)benzoyl]amino]acetate
CID 60513877
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 26160095
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
CID 26171733
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate (CID 55750199) is methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate is CCCOc1ccc(OCC(=O)Nc2cccc(C(=O)NCC(=O)OC)c2)cc1.
What is the InChIKey of methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate?
The InChIKey is AZJGCGSNAGXZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-3-11-28-17-7-9-18(10-8-17)29-14-19(24)23-16-6-4-5-15(12-16)21(26)22-13-20(25)27-2/h4-10,12H,3,11,13-14H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate?
methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate has a molecular weight of 400.43 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55750199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).