[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium

C16H24ClN2O+ — CID 4206046

IUPAC[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
SMILESC[NH+](C)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-19(2)15(12-8-10-13(17)11-9-12)16(20)18-14-6-4-3-5-7-14/h8-11,14-15H,3-7H2,1-2H3,(H,18,20)/p+1
InChIKeyZENAHZVLTRBGLM-UHFFFAOYSA-O
MW295.83 g/mol
LogP1.97
Rot. Bonds4

About [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium

[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium (PubChem CID 4206046) has the molecular formula C16H24ClN2O+ and a molecular weight of 295.83 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
PubChem CID4206046
Molecular FormulaC16H24ClN2O+
Molecular Weight295.83 g/mol
Exact Mass295.16
IUPAC Name[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
SMILESC[NH+](C)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-19(2)15(12-8-10-13(17)11-9-12)16(20)18-14-6-4-3-5-7-14/h8-11,14-15H,3-7H2,1-2H3,(H,18,20)/p+1
InChIKeyZENAHZVLTRBGLM-UHFFFAOYSA-O
XLogP1.97
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium
CID 4198096
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
CID 8635750
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 4995547
2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 43388740
2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 4173138
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 4995554
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide
CID 92653700

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium?
The IUPAC name of [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium (CID 4206046) is [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium?
The canonical SMILES for [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium is C[NH+](C)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium?
The InChIKey is ZENAHZVLTRBGLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23ClN2O/c1-19(2)15(12-8-10-13(17)11-9-12)16(20)18-14-6-4-3-5-7-14/h8-11,14-15H,3-7H2,1-2H3,(H,18,20)/p+1.
What are the key properties of [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium?
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium has a molecular weight of 295.83 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 4206046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).