N-[2-(2-acetamidoethylideneamino)ethyl]acetamide

C8H15N3O2 — CID 21133795

IUPACN-[2-(2-acetamidoethylideneamino)ethyl]acetamide
SMILESCC(=O)NC/C=N/CCNC(C)=O
InChIInChI=1S/C8H15N3O2/c1-7(12)10-5-3-9-4-6-11-8(2)13/h3H,4-6H2,1-2H3,(H,10,12)(H,11,13)/b9-3+
InChIKeyJJQXDHMXFBMZBQ-YCRREMRBSA-N
MW185.23 g/mol
LogP-0.67
Rot. Bonds5

About N-[2-(2-acetamidoethylideneamino)ethyl]acetamide

N-[2-(2-acetamidoethylideneamino)ethyl]acetamide (PubChem CID 21133795) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-[2-(2-acetamidoethylideneamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-acetamidoethylideneamino)ethyl]acetamide
PubChem CID21133795
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-[2-(2-acetamidoethylideneamino)ethyl]acetamide
SMILESCC(=O)NC/C=N/CCNC(C)=O
InChIInChI=1S/C8H15N3O2/c1-7(12)10-5-3-9-4-6-11-8(2)13/h3H,4-6H2,1-2H3,(H,10,12)(H,11,13)/b9-3+
InChIKeyJJQXDHMXFBMZBQ-YCRREMRBSA-N
XLogP-0.67
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-acetamidoethylideneamino)ethyl]acetamide?
The IUPAC name of N-[2-(2-acetamidoethylideneamino)ethyl]acetamide (CID 21133795) is N-[2-(2-acetamidoethylideneamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-acetamidoethylideneamino)ethyl]acetamide?
The canonical SMILES for N-[2-(2-acetamidoethylideneamino)ethyl]acetamide is CC(=O)NC/C=N/CCNC(C)=O.
What is the InChIKey of N-[2-(2-acetamidoethylideneamino)ethyl]acetamide?
The InChIKey is JJQXDHMXFBMZBQ-YCRREMRBSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(12)10-5-3-9-4-6-11-8(2)13/h3H,4-6H2,1-2H3,(H,10,12)(H,11,13)/b9-3+.
What are the key properties of N-[2-(2-acetamidoethylideneamino)ethyl]acetamide?
N-[2-(2-acetamidoethylideneamino)ethyl]acetamide has a molecular weight of 185.23 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidoethylideneamino)ethyl]acetamide is sourced from PubChem (CID 21133795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).