N-(1-cyanocyclohexyl)-2-methoxypropanamide

C11H18N2O2 — CID 112685947

IUPACN-(1-cyanocyclohexyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H18N2O2/c1-9(15-2)10(14)13-11(8-12)6-4-3-5-7-11/h9H,3-7H2,1-2H3,(H,13,14)
InChIKeyZBXVKNJGKFESEX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-methoxypropanamide

N-(1-cyanocyclohexyl)-2-methoxypropanamide (PubChem CID 112685947) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-methoxypropanamide
PubChem CID112685947
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(1-cyanocyclohexyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H18N2O2/c1-9(15-2)10(14)13-11(8-12)6-4-3-5-7-11/h9H,3-7H2,1-2H3,(H,13,14)
InChIKeyZBXVKNJGKFESEX-UHFFFAOYSA-N
XLogP1.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclohexyl)-2-methoxypropanamide 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-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
(2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide
CID 97063618
1-(1-cyanocyclooctyl)-3-propan-2-ylurea
CID 61124743
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7789501
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate
CID 9126047
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7814882
N-(1-cyanocyclopropyl)-2-fluoro-3-methylbutanamide
CID 130694532
2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide
CID 17474380
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 7837951
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 8524931
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814385

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-methoxypropanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-methoxypropanamide (CID 112685947) is N-(1-cyanocyclohexyl)-2-methoxypropanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-methoxypropanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-methoxypropanamide is COC(C)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-methoxypropanamide?
The InChIKey is ZBXVKNJGKFESEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(15-2)10(14)13-11(8-12)6-4-3-5-7-11/h9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-cyanocyclohexyl)-2-methoxypropanamide?
N-(1-cyanocyclohexyl)-2-methoxypropanamide has a molecular weight of 210.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-methoxypropanamide is sourced from PubChem (CID 112685947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).