ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate

C14H24N2O6 — CID 4175978

IUPACethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CCCCC(=O)NCC(=O)OCC
InChIInChI=1S/C14H24N2O6/c1-3-21-13(19)9-15-11(17)7-5-6-8-12(18)16-10-14(20)22-4-2/h3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFQLCHRFTRNMPOC-UHFFFAOYSA-N
MW316.35 g/mol
LogP-0.09
Rot. Bonds11

About ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate

ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate (PubChem CID 4175978) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
PubChem CID4175978
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Nameethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CCCCC(=O)NCC(=O)OCC
InChIInChI=1S/C14H24N2O6/c1-3-21-13(19)9-15-11(17)7-5-6-8-12(18)16-10-14(20)22-4-2/h3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFQLCHRFTRNMPOC-UHFFFAOYSA-N
XLogP-0.09
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-0.09
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-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate (CID 4175978) is ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate is CCOC(=O)CNC(=O)CCCCC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate?
The InChIKey is FQLCHRFTRNMPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-3-21-13(19)9-15-11(17)7-5-6-8-12(18)16-10-14(20)22-4-2/h3-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate?
ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate has a molecular weight of 316.35 g/mol, XLogP of -0.09, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate is sourced from PubChem (CID 4175978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).