4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride

C14H29ClN2O2 — CID 120591214

IUPAC4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)CCC1CCCCC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-16(14(17)10-13(11-15)18-2)9-8-12-6-4-3-5-7-12;/h12-13H,3-11,15H2,1-2H3;1H
InChIKeyZJYNDPSQMHFYJS-UHFFFAOYSA-N
MW292.85 g/mol
LogP2.20
Rot. Bonds7

About 4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride

4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride (PubChem CID 120591214) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride
PubChem CID120591214
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC Name4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)CCC1CCCCC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-16(14(17)10-13(11-15)18-2)9-8-12-6-4-3-5-7-12;/h12-13H,3-11,15H2,1-2H3;1H
InChIKeyZJYNDPSQMHFYJS-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 120593000
4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide
CID 120591072
3-amino-N-(2-cyclohexylethyl)-2-hydroxy-N-methylpropanamide
CID 115180869
4-amino-3-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 103155857
4-amino-N-(dicyclopropylmethyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120590886
N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
CID 115167537
4-amino-N-(2-cyclohexylethyl)-N,4-dimethylpentanamide
CID 115157638
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166
4-amino-N-(dicyclopropylmethyl)-3-methoxy-N-methylbutanamide
CID 120590887
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-methoxybutanamide
CID 103154406

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride (CID 120591214) is 4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride is COC(CN)CC(=O)N(C)CCC1CCCCC1.Cl.
What is the InChIKey of 4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride?
The InChIKey is ZJYNDPSQMHFYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-16(14(17)10-13(11-15)18-2)9-8-12-6-4-3-5-7-12;/h12-13H,3-11,15H2,1-2H3;1H.
What are the key properties of 4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride?
4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 120591214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).