[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate

C25H42N2O11 — CID 157417113

IUPAC[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate
SMILESCCC(=O)COCCOCCNC(=O)CCC(=O)COC(=O)C(C)C(=O)NCCOCCOCC(=O)CC
InChIInChI=1S/C25H42N2O11/c1-4-20(28)16-36-14-12-34-10-8-26-23(31)7-6-22(30)18-38-25(33)19(3)24(32)27-9-11-35-13-15-37-17-21(29)5-2/h19H,4-18H2,1-3H3,(H,26,31)(H,27,32)
InChIKeyZKIJUXIQKATCIZ-UHFFFAOYSA-N
MW546.61 g/mol
LogP-0.23
Rot. Bonds25

About [2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate

[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate (PubChem CID 157417113) has the molecular formula C25H42N2O11 and a molecular weight of 546.61 g/mol. Its IUPAC name is [2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate.

Molecular Properties

Compound Name[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate
PubChem CID157417113
Molecular FormulaC25H42N2O11
Molecular Weight546.61 g/mol
Exact Mass546.28
IUPAC Name[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate
SMILESCCC(=O)COCCOCCNC(=O)CCC(=O)COC(=O)C(C)C(=O)NCCOCCOCC(=O)CC
InChIInChI=1S/C25H42N2O11/c1-4-20(28)16-36-14-12-34-10-8-26-23(31)7-6-22(30)18-38-25(33)19(3)24(32)27-9-11-35-13-15-37-17-21(29)5-2/h19H,4-18H2,1-3H3,(H,26,31)(H,27,32)
InChIKeyZKIJUXIQKATCIZ-UHFFFAOYSA-N
XLogP-0.23
TPSA172.63 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.61
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
CID 155077240
molecular hydrogen;N-[2-oxo-2-[2-(2-oxobutoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 167464435
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400
2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide
CID 156820627
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350
N-[2-(aminomethoxy)ethyl]-4-oxohexanamide
CID 163442733
N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624

Frequently Asked Questions

What is the IUPAC name of [2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate?
The IUPAC name of [2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate (CID 157417113) is [2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate.
What is the SMILES notation for [2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate?
The canonical SMILES for [2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate is CCC(=O)COCCOCCNC(=O)CCC(=O)COC(=O)C(C)C(=O)NCCOCCOCC(=O)CC.
What is the InChIKey of [2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate?
The InChIKey is ZKIJUXIQKATCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O11/c1-4-20(28)16-36-14-12-34-10-8-26-23(31)7-6-22(30)18-38-25(33)19(3)24(32)27-9-11-35-13-15-37-17-21(29)5-2/h19H,4-18H2,1-3H3,(H,26,31)(H,27,32).
What are the key properties of [2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate?
[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate has a molecular weight of 546.61 g/mol, XLogP of -0.23, 25 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate is sourced from PubChem (CID 157417113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).