N-(4-cyanooxan-4-yl)-2-ethylbutanamide

C12H20N2O2 — CID 82287407

IUPACN-(4-cyanooxan-4-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1(C#N)CCOCC1
InChIInChI=1S/C12H20N2O2/c1-3-10(4-2)11(15)14-12(9-13)5-7-16-8-6-12/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyATLJJNVXISJZMX-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.61
Rot. Bonds4

About N-(4-cyanooxan-4-yl)-2-ethylbutanamide

N-(4-cyanooxan-4-yl)-2-ethylbutanamide (PubChem CID 82287407) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(4-cyanooxan-4-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(4-cyanooxan-4-yl)-2-ethylbutanamide
PubChem CID82287407
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(4-cyanooxan-4-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1(C#N)CCOCC1
InChIInChI=1S/C12H20N2O2/c1-3-10(4-2)11(15)14-12(9-13)5-7-16-8-6-12/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyATLJJNVXISJZMX-UHFFFAOYSA-N
XLogP1.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanooxan-4-yl)-2-ethylbutanamide 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

(2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide
CID 130616504
N-(1-cyano-4-methylcyclohexyl)-2-ethylhexanamide
CID 61119147
(3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide
CID 95628552
tert-butyl N-[1-[(4-cyanooxan-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 22260478
N-(1-cyanocyclopropyl)-2-fluoro-3-methylbutanamide
CID 130694532
[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 23589459
N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 86585198
N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260467
N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide
CID 18710449
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
N-(1-cyanocyclopentyl)propanamide
CID 55029198
4-cyano-4-(dimethylsulfamoylamino)oxane
CID 82290117

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanooxan-4-yl)-2-ethylbutanamide?
The IUPAC name of N-(4-cyanooxan-4-yl)-2-ethylbutanamide (CID 82287407) is N-(4-cyanooxan-4-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(4-cyanooxan-4-yl)-2-ethylbutanamide?
The canonical SMILES for N-(4-cyanooxan-4-yl)-2-ethylbutanamide is CCC(CC)C(=O)NC1(C#N)CCOCC1.
What is the InChIKey of N-(4-cyanooxan-4-yl)-2-ethylbutanamide?
The InChIKey is ATLJJNVXISJZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10(4-2)11(15)14-12(9-13)5-7-16-8-6-12/h10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(4-cyanooxan-4-yl)-2-ethylbutanamide?
N-(4-cyanooxan-4-yl)-2-ethylbutanamide has a molecular weight of 224.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanooxan-4-yl)-2-ethylbutanamide is sourced from PubChem (CID 82287407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).