methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate

C22H26N2O6 — CID 11304542

IUPACmethyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate
SMILESCCc1ccc(Oc2ccc(C(=O)NCCOCC(=O)NCC(=O)OC)cc2)cc1
InChIInChI=1S/C22H26N2O6/c1-3-16-4-8-18(9-5-16)30-19-10-6-17(7-11-19)22(27)23-12-13-29-15-20(25)24-14-21(26)28-2/h4-11H,3,12-15H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyVVODZGMMKWHTPA-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.08
Rot. Bonds11

About methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate

methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate (PubChem CID 11304542) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate
PubChem CID11304542
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Namemethyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate
SMILESCCc1ccc(Oc2ccc(C(=O)NCCOCC(=O)NCC(=O)OC)cc2)cc1
InChIInChI=1S/C22H26N2O6/c1-3-16-4-8-18(9-5-16)30-19-10-6-17(7-11-19)22(27)23-12-13-29-15-20(25)24-14-21(26)28-2/h4-11H,3,12-15H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyVVODZGMMKWHTPA-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate (CID 11304542) is methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate is CCc1ccc(Oc2ccc(C(=O)NCCOCC(=O)NCC(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate?
The InChIKey is VVODZGMMKWHTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-3-16-4-8-18(9-5-16)30-19-10-6-17(7-11-19)22(27)23-12-13-29-15-20(25)24-14-21(26)28-2/h4-11H,3,12-15H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate?
methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate has a molecular weight of 414.46 g/mol, XLogP of 2.08, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-[[4-(4-ethylphenoxy)benzoyl]amino]ethoxy]acetyl]amino]acetate is sourced from PubChem (CID 11304542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).