N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride

C19H31ClN2O4 — CID 21409874

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC2(N(C)C)CCCCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-21(2)19(9-7-6-8-10-19)13-20-18(22)14-11-15(23-3)17(25-5)16(12-14)24-4;/h11-12H,6-10,13H2,1-5H3,(H,20,22);1H
InChIKeyWGYHMNOLFGNQKN-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.13
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride

N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride (PubChem CID 21409874) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
PubChem CID21409874
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC2(N(C)C)CCCCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-21(2)19(9-7-6-8-10-19)13-20-18(22)14-11-15(23-3)17(25-5)16(12-14)24-4;/h11-12H,6-10,13H2,1-5H3,(H,20,22);1H
InChIKeyWGYHMNOLFGNQKN-UHFFFAOYSA-N
XLogP3.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 39915609
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 20995004
3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 107952216
3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
CID 18155370
N-[(2S)-1-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methoxy-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methoxy]-3,5-dimethoxybenzamide;hydrochloride
CID 11548658
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride (CID 21409874) is N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride is COc1cc(C(=O)NCC2(N(C)C)CCCCC2)cc(OC)c1OC.Cl.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride?
The InChIKey is WGYHMNOLFGNQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/c1-21(2)19(9-7-6-8-10-19)13-20-18(22)14-11-15(23-3)17(25-5)16(12-14)24-4;/h11-12H,6-10,13H2,1-5H3,(H,20,22);1H.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride?
N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride is sourced from PubChem (CID 21409874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).