N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide

C12H20N2O2 — CID 95292379

IUPACN-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide
SMILESCC[C@H](C#N)NC(=O)COC1CCCCC1
InChIInChI=1S/C12H20N2O2/c1-2-10(8-13)14-12(15)9-16-11-6-4-3-5-7-11/h10-11H,2-7,9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyQBYLEBPSSLBJPV-SNVBAGLBSA-N
MW224.30 g/mol
LogP1.75
Rot. Bonds5

About N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide

N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide (PubChem CID 95292379) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide
PubChem CID95292379
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide
SMILESCC[C@H](C#N)NC(=O)COC1CCCCC1
InChIInChI=1S/C12H20N2O2/c1-2-10(8-13)14-12(15)9-16-11-6-4-3-5-7-11/h10-11H,2-7,9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyQBYLEBPSSLBJPV-SNVBAGLBSA-N
XLogP1.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-N'-ethylacetohydrazide
CID 144767495
N-[(2S)-1-aminopropan-2-yl]-2-cyclopentyloxyacetamide;hydrochloride
CID 120508345
N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
CID 55136713
2-cyclopentyloxyacetohydrazide
CID 60782273
N-[(1R)-1-cycloheptylethyl]-2-piperidin-4-yloxyacetamide
CID 81392321
2-cyclohexyloxy-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 111483333
2-cyano-N-[(1S)-1-cyanopropyl]propanamide
CID 131154745
methyl 3-[(2-cyclohexyloxyacetyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55776096
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide
CID 55137320
N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyacetamide
CID 172511111
N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide
CID 79159247
4-cyclopentyloxy-2-(methylamino)butanenitrile
CID 63030165

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide?
The IUPAC name of N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide (CID 95292379) is N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide.
What is the SMILES notation for N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide?
The canonical SMILES for N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide is CC[C@H](C#N)NC(=O)COC1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide?
The InChIKey is QBYLEBPSSLBJPV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-10(8-13)14-12(15)9-16-11-6-4-3-5-7-11/h10-11H,2-7,9H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide?
N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide has a molecular weight of 224.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide is sourced from PubChem (CID 95292379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).