N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide

C11H21N3O4 — CID 20686584

IUPACN'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide
SMILESCNC(=O)CCC(=O)NCCOCCNC(C)=O
InChIInChI=1S/C11H21N3O4/c1-9(15)13-5-7-18-8-6-14-11(17)4-3-10(16)12-2/h3-8H2,1-2H3,(H,12,16)(H,13,15)(H,14,17)
InChIKeyXKGZGMNWLQSBIN-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.22
Rot. Bonds9

About N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide

N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide (PubChem CID 20686584) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide.

Molecular Properties

Compound NameN'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide
PubChem CID20686584
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide
SMILESCNC(=O)CCC(=O)NCCOCCNC(C)=O
InChIInChI=1S/C11H21N3O4/c1-9(15)13-5-7-18-8-6-14-11(17)4-3-10(16)12-2/h3-8H2,1-2H3,(H,12,16)(H,13,15)(H,14,17)
InChIKeyXKGZGMNWLQSBIN-UHFFFAOYSA-N
XLogP-1.22
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide?
The IUPAC name of N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide (CID 20686584) is N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide.
What is the SMILES notation for N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide?
The canonical SMILES for N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide is CNC(=O)CCC(=O)NCCOCCNC(C)=O.
What is the InChIKey of N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide?
The InChIKey is XKGZGMNWLQSBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-9(15)13-5-7-18-8-6-14-11(17)4-3-10(16)12-2/h3-8H2,1-2H3,(H,12,16)(H,13,15)(H,14,17).
What are the key properties of N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide?
N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide has a molecular weight of 259.31 g/mol, XLogP of -1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-acetamidoethoxy)ethyl]-N-methylbutanediamide is sourced from PubChem (CID 20686584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).