cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium

C18H29N2O+ — CID 8875644

IUPACcyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
SMILESCCc1cccc(C)c1NC(=O)C[N+](C)(C)C1CCCC1
InChIInChI=1S/C18H28N2O/c1-5-15-10-8-9-14(2)18(15)19-17(21)13-20(3,4)16-11-6-7-12-16/h8-10,16H,5-7,11-13H2,1-4H3/p+1
InChIKeyMXMMCVFFCBJIGP-UHFFFAOYSA-O
MW289.44 g/mol
LogP3.51
Rot. Bonds5

About cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium

cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium (PubChem CID 8875644) has the molecular formula C18H29N2O+ and a molecular weight of 289.44 g/mol. Its IUPAC name is cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Namecyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
PubChem CID8875644
Molecular FormulaC18H29N2O+
Molecular Weight289.44 g/mol
Exact Mass289.23
IUPAC Namecyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
SMILESCCc1cccc(C)c1NC(=O)C[N+](C)(C)C1CCCC1
InChIInChI=1S/C18H28N2O/c1-5-15-10-8-9-14(2)18(15)19-17(21)13-20(3,4)16-11-6-7-12-16/h8-10,16H,5-7,11-13H2,1-4H3/p+1
InChIKeyMXMMCVFFCBJIGP-UHFFFAOYSA-O
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
2-[acetyl(cyclohexyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113159510
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626374
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815604
3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122716
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 6971555
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium?
The IUPAC name of cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium (CID 8875644) is cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium?
The canonical SMILES for cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium is CCc1cccc(C)c1NC(=O)C[N+](C)(C)C1CCCC1.
What is the InChIKey of cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium?
The InChIKey is MXMMCVFFCBJIGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N2O/c1-5-15-10-8-9-14(2)18(15)19-17(21)13-20(3,4)16-11-6-7-12-16/h8-10,16H,5-7,11-13H2,1-4H3/p+1.
What are the key properties of cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium?
cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium has a molecular weight of 289.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 8875644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).