N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide

C10H16N2O4 — CID 140977215

IUPACN-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide
SMILESCC(=O)/N=C/COCCOC/C=N/C(C)=O
InChIInChI=1S/C10H16N2O4/c1-9(13)11-3-5-15-7-8-16-6-4-12-10(2)14/h3-4H,5-8H2,1-2H3/b11-3+,12-4+
InChIKeySAXFKQAAHHNLMS-HMMKTVFPSA-N
MW228.25 g/mol
LogP0.25
Rot. Bonds7

About N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide

N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide (PubChem CID 140977215) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide
PubChem CID140977215
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide
SMILESCC(=O)/N=C/COCCOC/C=N/C(C)=O
InChIInChI=1S/C10H16N2O4/c1-9(13)11-3-5-15-7-8-16-6-4-12-10(2)14/h3-4H,5-8H2,1-2H3/b11-3+,12-4+
InChIKeySAXFKQAAHHNLMS-HMMKTVFPSA-N
XLogP0.25
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide?
The IUPAC name of N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide (CID 140977215) is N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide.
What is the SMILES notation for N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide?
The canonical SMILES for N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide is CC(=O)/N=C/COCCOC/C=N/C(C)=O.
What is the InChIKey of N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide?
The InChIKey is SAXFKQAAHHNLMS-HMMKTVFPSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-9(13)11-3-5-15-7-8-16-6-4-12-10(2)14/h3-4H,5-8H2,1-2H3/b11-3+,12-4+.
What are the key properties of N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide?
N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide has a molecular weight of 228.25 g/mol, XLogP of 0.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-acetyliminoethoxy)ethoxy]ethylidene]acetamide is sourced from PubChem (CID 140977215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).