2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide

C9H16N2O3 — CID 62499294

IUPAC2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide
SMILESCCC(C#N)C(=O)NCCOCCO
InChIInChI=1S/C9H16N2O3/c1-2-8(7-10)9(13)11-3-5-14-6-4-12/h8,12H,2-6H2,1H3,(H,11,13)
InChIKeySAQLYZQHEQMXBW-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.34
Rot. Bonds7

About 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide

2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide (PubChem CID 62499294) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide
PubChem CID62499294
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide
SMILESCCC(C#N)C(=O)NCCOCCO
InChIInChI=1S/C9H16N2O3/c1-2-8(7-10)9(13)11-3-5-14-6-4-12/h8,12H,2-6H2,1H3,(H,11,13)
InChIKeySAQLYZQHEQMXBW-UHFFFAOYSA-N
XLogP-0.34
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyano-N-(6-hydroxyhexyl)butanamide
CID 107853067
2,4-diethyl-N,N'-bis[2-(2-hydroxyethoxy)ethyl]pentanediamide
CID 89382356
2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376
2-amino-N-[2-(2-hydroxyethoxy)ethyl]pent-4-ynamide
CID 115563193
2-cyano-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 62641160
N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
CID 60654444

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide?
The IUPAC name of 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide (CID 62499294) is 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide.
What is the SMILES notation for 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide?
The canonical SMILES for 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide is CCC(C#N)C(=O)NCCOCCO.
What is the InChIKey of 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide?
The InChIKey is SAQLYZQHEQMXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-8(7-10)9(13)11-3-5-14-6-4-12/h8,12H,2-6H2,1H3,(H,11,13).
What are the key properties of 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide?
2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide has a molecular weight of 200.24 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]butanamide is sourced from PubChem (CID 62499294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).