N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide

C12H22N2O3 — CID 78927188

IUPACN-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
SMILESCCOCCCC(=O)N(CCC#N)CCOC
InChIInChI=1S/C12H22N2O3/c1-3-17-10-4-6-12(15)14(8-5-7-13)9-11-16-2/h3-6,8-11H2,1-2H3
InChIKeyNGRZYRIJDAGZDY-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.19
Rot. Bonds10

About N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide

N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide (PubChem CID 78927188) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
PubChem CID78927188
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
SMILESCCOCCCC(=O)N(CCC#N)CCOC
InChIInChI=1S/C12H22N2O3/c1-3-17-10-4-6-12(15)14(8-5-7-13)9-11-16-2/h3-6,8-11H2,1-2H3
InChIKeyNGRZYRIJDAGZDY-UHFFFAOYSA-N
XLogP1.19
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)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

N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
N,N-bis(2-cyanoethyl)dodecanamide
CID 3396127
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
5-[2-cyanoethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 63285346
3-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 63286649
3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63286955
4-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]-methylamino]butanoic acid
CID 63286647
N-(cyanomethyl)-4-ethoxy-N-methylbutanamide
CID 78915918

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide?
The IUPAC name of N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide (CID 78927188) is N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide?
The canonical SMILES for N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide is CCOCCCC(=O)N(CCC#N)CCOC.
What is the InChIKey of N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide?
The InChIKey is NGRZYRIJDAGZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-10-4-6-12(15)14(8-5-7-13)9-11-16-2/h3-6,8-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide?
N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide has a molecular weight of 242.32 g/mol, XLogP of 1.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 78927188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).