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

C18H29N3O — CID 2108141

IUPAC4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-20(2)16-10-8-15(9-11-16)17(22)19-14-18(21(3)4)12-6-5-7-13-18/h8-11H,5-7,12-14H2,1-4H3,(H,19,22)
InChIKeyJQZDVWHMNQJWHM-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.75
Rot. Bonds5

About 4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (PubChem CID 2108141) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
PubChem CID2108141
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-20(2)16-10-8-15(9-11-16)17(22)19-14-18(21(3)4)12-6-5-7-13-18/h8-11H,5-7,12-14H2,1-4H3,(H,19,22)
InChIKeyJQZDVWHMNQJWHM-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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (CID 2108141) is 4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is CN(C)c1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The InChIKey is JQZDVWHMNQJWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-20(2)16-10-8-15(9-11-16)17(22)19-14-18(21(3)4)12-6-5-7-13-18/h8-11H,5-7,12-14H2,1-4H3,(H,19,22).
What are the key properties of 4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
4-(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 4-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 2108141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).