N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide

C11H20N2O2 — CID 95286665

IUPACN-[(1S)-1-cyanobutyl]-4-ethoxybutanamide
SMILESCCC[C@@H](C#N)NC(=O)CCCOCC
InChIInChI=1S/C11H20N2O2/c1-3-6-10(9-12)13-11(14)7-5-8-15-4-2/h10H,3-8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyJGUSOTNOXNEVFA-JTQLQIEISA-N
MW212.29 g/mol
LogP1.61
Rot. Bonds8

About N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide

N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide (PubChem CID 95286665) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanobutyl]-4-ethoxybutanamide
PubChem CID95286665
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(1S)-1-cyanobutyl]-4-ethoxybutanamide
SMILESCCC[C@@H](C#N)NC(=O)CCCOCC
InChIInChI=1S/C11H20N2O2/c1-3-6-10(9-12)13-11(14)7-5-8-15-4-2/h10H,3-8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyJGUSOTNOXNEVFA-JTQLQIEISA-N
XLogP1.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide 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-butan-2-yl-4-methoxybutanamide
CID 89947041
4-ethoxy-N-propan-2-ylbutanamide
CID 112728014
N-(4-ethoxybutyl)-4-(methylamino)pentanamide
CID 118974836
N-propan-2-yl-4-propan-2-yloxybutanamide
CID 146260552
molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide
CID 155692166
N-propan-2-yl-4-propoxybutanamide
CID 156057851
ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen
CID 156819710
ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide
CID 156820591
4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide
CID 156820592
N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749870
4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749892
4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide;molecular hydrogen
CID 162749910

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide?
The IUPAC name of N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide (CID 95286665) is N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide.
What is the SMILES notation for N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide?
The canonical SMILES for N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide is CCC[C@@H](C#N)NC(=O)CCCOCC.
What is the InChIKey of N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide?
The InChIKey is JGUSOTNOXNEVFA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-6-10(9-12)13-11(14)7-5-8-15-4-2/h10H,3-8H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide?
N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide has a molecular weight of 212.29 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide is sourced from PubChem (CID 95286665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).