3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

C18H29N3O — CID 2108139

IUPAC3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1
InChIInChI=1S/C18H29N3O/c1-20(2)16-10-8-9-15(13-16)17(22)19-14-18(21(3)4)11-6-5-7-12-18/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,19,22)
InChIKeyVXZAWZFSFJRXBB-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.75
Rot. Bonds5

About 3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (PubChem CID 2108139) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
PubChem CID2108139
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1
InChIInChI=1S/C18H29N3O/c1-20(2)16-10-8-9-15(13-16)17(22)19-14-18(21(3)4)11-6-5-7-12-18/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,19,22)
InChIKeyVXZAWZFSFJRXBB-UHFFFAOYSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123540
3-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362491
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
3-(dimethylamino)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24564777
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
CID 83112832
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445284
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2501045
N-[[1-(dimethylamino)cyclopentyl]methyl]-1H-indole-6-carboxamide
CID 115282537
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
CID 104627729

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (CID 2108139) is 3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is CN(C)c1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The InChIKey is VXZAWZFSFJRXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-20(2)16-10-8-9-15(13-16)17(22)19-14-18(21(3)4)11-6-5-7-12-18/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,19,22).
What are the key properties of 3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide has a molecular weight of 303.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 2108139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).