ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate

C15H26N2O6 — CID 657677

IUPACethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CCCCCC(=O)NCC(=O)OCC
InChIInChI=1S/C15H26N2O6/c1-3-22-14(20)10-16-12(18)8-6-5-7-9-13(19)17-11-15(21)23-4-2/h3-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUUQIOJKOAPDXTP-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.30
Rot. Bonds12

About ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate

ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate (PubChem CID 657677) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate
PubChem CID657677
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Nameethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CCCCCC(=O)NCC(=O)OCC
InChIInChI=1S/C15H26N2O6/c1-3-22-14(20)10-16-12(18)8-6-5-7-9-13(19)17-11-15(21)23-4-2/h3-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUUQIOJKOAPDXTP-UHFFFAOYSA-N
XLogP0.30
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.30
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 ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate (CID 657677) is ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate is CCOC(=O)CNC(=O)CCCCCC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate?
The InChIKey is UUQIOJKOAPDXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-3-22-14(20)10-16-12(18)8-6-5-7-9-13(19)17-11-15(21)23-4-2/h3-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate?
ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate has a molecular weight of 330.38 g/mol, XLogP of 0.30, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate is sourced from PubChem (CID 657677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).