N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide

C13H22N2O5 — CID 21059348

IUPACN-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide
SMILESCOCCNC(=O)CCC(=O)N(CC(C)=O)CC(C)=O
InChIInChI=1S/C13H22N2O5/c1-10(16)8-15(9-11(2)17)13(19)5-4-12(18)14-6-7-20-3/h4-9H2,1-3H3,(H,14,18)
InChIKeyZDYVGXWTPRLOFM-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.46
Rot. Bonds10

About N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide

N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide (PubChem CID 21059348) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide
PubChem CID21059348
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC NameN-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide
SMILESCOCCNC(=O)CCC(=O)N(CC(C)=O)CC(C)=O
InChIInChI=1S/C13H22N2O5/c1-10(16)8-15(9-11(2)17)13(19)5-4-12(18)14-6-7-20-3/h4-9H2,1-3H3,(H,14,18)
InChIKeyZDYVGXWTPRLOFM-UHFFFAOYSA-N
XLogP-0.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide?
The IUPAC name of N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide (CID 21059348) is N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide.
What is the SMILES notation for N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide?
The canonical SMILES for N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide is COCCNC(=O)CCC(=O)N(CC(C)=O)CC(C)=O.
What is the InChIKey of N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide?
The InChIKey is ZDYVGXWTPRLOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-10(16)8-15(9-11(2)17)13(19)5-4-12(18)14-6-7-20-3/h4-9H2,1-3H3,(H,14,18).
What are the key properties of N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide?
N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide has a molecular weight of 286.33 g/mol, XLogP of -0.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N',N'-bis(2-oxopropyl)butanediamide is sourced from PubChem (CID 21059348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).