N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide

C13H26N2O2 — CID 94119176

IUPACN-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H](C1CCCCC1)N(C)C
InChIInChI=1S/C13H26N2O2/c1-15(2)12(9-14-13(16)10-17-3)11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,14,16)/t12-/m1/s1
InChIKeyBAEFPXVJECGWCR-GFCCVEGCSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds6

About N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide

N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide (PubChem CID 94119176) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide
PubChem CID94119176
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H](C1CCCCC1)N(C)C
InChIInChI=1S/C13H26N2O2/c1-15(2)12(9-14-13(16)10-17-3)11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,14,16)/t12-/m1/s1
InChIKeyBAEFPXVJECGWCR-GFCCVEGCSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850519
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850513
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide
CID 119850509
N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94119173
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110973755
N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850522
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride
CID 119850478
N-[2-(dimethylamino)-3-methylbutyl]-2-methoxyacetamide
CID 60724343
N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride
CID 115584803
N-[(1S)-1-cyclopentylethyl]-2-methoxyacetamide
CID 81391061
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111867413
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119850474

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide (CID 94119176) is N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide is COCC(=O)NC[C@H](C1CCCCC1)N(C)C.
What is the InChIKey of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide?
The InChIKey is BAEFPXVJECGWCR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(2)12(9-14-13(16)10-17-3)11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide?
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 94119176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).