2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone

C18H28N2O2 — CID 110825746

IUPAC2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNCC2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-20(2)18(11-5-4-6-12-18)14-19-13-17(21)15-7-9-16(22-3)10-8-15/h7-10,19H,4-6,11-14H2,1-3H3
InChIKeyCKORGCRKDBWLBG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.73
Rot. Bonds7

About 2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone

2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone (PubChem CID 110825746) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone
PubChem CID110825746
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNCC2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-20(2)18(11-5-4-6-12-18)14-19-13-17(21)15-7-9-16(22-3)10-8-15/h7-10,19H,4-6,11-14H2,1-3H3
InChIKeyCKORGCRKDBWLBG-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
1-(1-iodocyclopentyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 66927092
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
methyl 4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzoate
CID 105415759
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 105418472
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 62007740
1-(4-methoxyphenyl)-2-(1,3,5-triazabicyclo[3.3.1]nonan-3-ylmethylamino)ethanone
CID 126765577
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55666102
2-[[1-[[1-(4-methoxyphenyl)-2-oxoethylidene]amino]cyclohexyl]amino]acetyl chloride
CID 173296916

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone (CID 110825746) is 2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CNCC2(N(C)C)CCCCC2)cc1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone?
The InChIKey is CKORGCRKDBWLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20(2)18(11-5-4-6-12-18)14-19-13-17(21)15-7-9-16(22-3)10-8-15/h7-10,19H,4-6,11-14H2,1-3H3.
What are the key properties of 2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone?
2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone has a molecular weight of 304.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 110825746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).