N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide

C18H28FN3O — CID 119034333

IUPACN-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCC(c2cccc(F)c2)N(C)C)CC1
InChIInChI=1S/C18H28FN3O/c1-13(23)21-17-9-7-16(8-10-17)20-12-18(22(2)3)14-5-4-6-15(19)11-14/h4-6,11,16-18,20H,7-10,12H2,1-3H3,(H,21,23)
InChIKeyJAXIQUICMPHJRZ-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.47
Rot. Bonds6

About N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide

N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide (PubChem CID 119034333) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide
PubChem CID119034333
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC NameN-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCC(c2cccc(F)c2)N(C)C)CC1
InChIInChI=1S/C18H28FN3O/c1-13(23)21-17-9-7-16(8-10-17)20-12-18(22(2)3)14-5-4-6-15(19)11-14/h4-6,11,16-18,20H,7-10,12H2,1-3H3,(H,21,23)
InChIKeyJAXIQUICMPHJRZ-UHFFFAOYSA-N
XLogP2.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
CID 55358618
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
CID 62225506
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39956758
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110906953
ethyl 4-[[N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328321
tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39956468
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 34967946
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide (CID 119034333) is N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(NCC(c2cccc(F)c2)N(C)C)CC1.
What is the InChIKey of N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide?
The InChIKey is JAXIQUICMPHJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-13(23)21-17-9-7-16(8-10-17)20-12-18(22(2)3)14-5-4-6-15(19)11-14/h4-6,11,16-18,20H,7-10,12H2,1-3H3,(H,21,23).
What are the key properties of N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide?
N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide has a molecular weight of 321.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 119034333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).