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

C22H26N2O6 — CID 55781621

IUPACmethyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate
SMILESCCCOc1ccc(OCC(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)cc1
InChIInChI=1S/C22H26N2O6/c1-3-12-29-18-8-10-19(11-9-18)30-15-21(26)24-17-6-4-16(5-7-17)13-20(25)23-14-22(27)28-2/h4-11H,3,12-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCHQLXJYOTOOEMX-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.32
Rot. Bonds11

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

methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate (PubChem CID 55781621) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate
PubChem CID55781621
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Namemethyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate
SMILESCCCOc1ccc(OCC(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)cc1
InChIInChI=1S/C22H26N2O6/c1-3-12-29-18-8-10-19(11-9-18)30-15-21(26)24-17-6-4-16(5-7-17)13-20(25)23-14-22(27)28-2/h4-11H,3,12-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCHQLXJYOTOOEMX-UHFFFAOYSA-N
XLogP2.32
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(4-methoxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 4732668
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 55750199
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
2-methyl-N-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 26907045
N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028237
methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695234
methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695222
2-[4-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364935

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate (CID 55781621) is methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate is CCCOc1ccc(OCC(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate?
The InChIKey is CHQLXJYOTOOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-3-12-29-18-8-10-19(11-9-18)30-15-21(26)24-17-6-4-16(5-7-17)13-20(25)23-14-22(27)28-2/h4-11H,3,12-15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate has a molecular weight of 414.46 g/mol, XLogP of 2.32, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 55781621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).