[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate

C17H24N2O3 — CID 3621562

IUPAC[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
SMILESCN(C)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-19(2)15-10-8-14(9-11-15)18-16(20)12-22-17(21)13-6-4-3-5-7-13/h8-11,13H,3-7,12H2,1-2H3,(H,18,20)
InChIKeyGBDMGTUESIEJAZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.81
Rot. Bonds5

About [2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate

[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 3621562) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
PubChem CID3621562
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
SMILESCN(C)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-19(2)15-10-8-14(9-11-15)18-16(20)12-22-17(21)13-6-4-3-5-7-13/h8-11,13H,3-7,12H2,1-2H3,(H,18,20)
InChIKeyGBDMGTUESIEJAZ-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
CID 7149751
[2-(4-iodoanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717400
methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate
CID 8019672
[2-(4-nitroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020396
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7830031
[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717429
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] cyclohexanecarboxylate
CID 4036102
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019701
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate
CID 9416191
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2577705
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 4203490

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate (CID 3621562) is [2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate is CN(C)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is GBDMGTUESIEJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19(2)15-10-8-14(9-11-15)18-16(20)12-22-17(21)13-6-4-3-5-7-13/h8-11,13H,3-7,12H2,1-2H3,(H,18,20).
What are the key properties of [2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate?
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate is sourced from PubChem (CID 3621562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).