N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide

C18H28N2O2 — CID 17447079

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCCCC2)N(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-20(2)17(14-9-11-16(22-3)12-10-14)13-19-18(21)15-7-5-4-6-8-15/h9-12,15,17H,4-8,13H2,1-3H3,(H,19,21)
InChIKeyDKAJLTQGARVFCO-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide (PubChem CID 17447079) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
PubChem CID17447079
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCCCC2)N(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-20(2)17(14-9-11-16(22-3)12-10-14)13-19-18(21)15-7-5-4-6-8-15/h9-12,15,17H,4-8,13H2,1-3H3,(H,19,21)
InChIKeyDKAJLTQGARVFCO-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 27772471
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25409009
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110621142
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302059
trans-(1S,3S)-3-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 98760042
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 95778239

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide (CID 17447079) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide is COc1ccc(C(CNC(=O)C2CCCCC2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide?
The InChIKey is DKAJLTQGARVFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20(2)17(14-9-11-16(22-3)12-10-14)13-19-18(21)15-7-5-4-6-8-15/h9-12,15,17H,4-8,13H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 17447079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).