N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride

C17H27ClN2O2 — CID 20994999

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-19(2)17(10-5-4-6-11-17)13-18-16(20)14-8-7-9-15(12-14)21-3;/h7-9,12H,4-6,10-11,13H2,1-3H3,(H,18,20);1H
InChIKeyRJKYQZCTNFYVRI-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.11
Rot. Bonds5

About N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride (PubChem CID 20994999) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
PubChem CID20994999
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-19(2)17(10-5-4-6-11-17)13-18-16(20)14-8-7-9-15(12-14)21-3;/h7-9,12H,4-6,10-11,13H2,1-3H3,(H,18,20);1H
InChIKeyRJKYQZCTNFYVRI-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
CID 83112832
N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 21409874
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide
CID 122150789
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 39915609
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 105418472

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride (CID 20994999) is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride is COc1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1.Cl.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride?
The InChIKey is RJKYQZCTNFYVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-19(2)17(10-5-4-6-11-17)13-18-16(20)14-8-7-9-15(12-14)21-3;/h7-9,12H,4-6,10-11,13H2,1-3H3,(H,18,20);1H.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride?
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 20994999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).