methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate

C15H27NO7 — CID 126628431

IUPACmethyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COCCOCCCCCOCC(C)=O
InChIInChI=1S/C15H27NO7/c1-13(17)11-22-7-5-3-4-6-21-8-9-23-12-14(18)16-10-15(19)20-2/h3-12H2,1-2H3,(H,16,18)
InChIKeyVKPYNXSVSIPGQD-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.08
Rot. Bonds15

About methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate

methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate (PubChem CID 126628431) has the molecular formula C15H27NO7 and a molecular weight of 333.38 g/mol. Its IUPAC name is methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate
PubChem CID126628431
Molecular FormulaC15H27NO7
Molecular Weight333.38 g/mol
Exact Mass333.18
IUPAC Namemethyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COCCOCCCCCOCC(C)=O
InChIInChI=1S/C15H27NO7/c1-13(17)11-22-7-5-3-4-6-21-8-9-23-12-14(18)16-10-15(19)20-2/h3-12H2,1-2H3,(H,16,18)
InChIKeyVKPYNXSVSIPGQD-UHFFFAOYSA-N
XLogP0.08
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]acetate
CID 43431221
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate
CID 160862019
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230
N-(2-hydroxyethyl)-2-[2-(2-oxopropoxy)ethoxy]acetamide
CID 155596113
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 59533808
ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
CID 156794458
N-methyl-2-[2-(2-oxopropoxy)ethoxy]acetamide
CID 59773137
1-hexadecoxypropan-2-one
CID 15701879
methyl 2-[2-(11-acetylsulfanylundecoxy)ethoxy]acetate
CID 59422683
2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 58214492

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate (CID 126628431) is methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate is COC(=O)CNC(=O)COCCOCCCCCOCC(C)=O.
What is the InChIKey of methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate?
The InChIKey is VKPYNXSVSIPGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO7/c1-13(17)11-22-7-5-3-4-6-21-8-9-23-12-14(18)16-10-15(19)20-2/h3-12H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate?
methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate has a molecular weight of 333.38 g/mol, XLogP of 0.08, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate is sourced from PubChem (CID 126628431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).