N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide

C13H25NO2 — CID 103029230

IUPACN-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)16-4/h10-11H,5-9H2,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyACUOIGSAYSESOI-JTQLQIEISA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds4

About N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide

N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide (PubChem CID 103029230) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide
PubChem CID103029230
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)16-4/h10-11H,5-9H2,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyACUOIGSAYSESOI-JTQLQIEISA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-2-methoxy-2-methylpropanamide
CID 103029233
2-methoxy-2-methyl-N-[1-(oxan-4-yl)ethyl]propanamide
CID 103769337
3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide
CID 115426905
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035
[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid
CID 10037048
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
CID 103930317
tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate
CID 142180276
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N-[(1R)-1-cycloheptylethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83198749
N-[(1S)-1-cyclopentylethyl]-2-methoxyacetamide
CID 81391061
2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide
CID 55068978

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide (CID 103029230) is N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)N[C@@H](C)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide?
The InChIKey is ACUOIGSAYSESOI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)16-4/h10-11H,5-9H2,1-4H3,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide?
N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103029230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).