3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide

C22H34N2O2 — CID 139383495

IUPAC3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C(C)CCCC1CN(C)CCC1CC1
InChIInChI=1S/C22H34N2O2/c1-16-6-4-9-20(15-24(2)13-12-17-10-11-17)22(16,26-3)19-8-5-7-18(14-19)21(23)25/h5,7-8,14,16-17,20H,4,6,9-13,15H2,1-3H3,(H2,23,25)
InChIKeyJBXJAVVRRWKRHT-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.80
Rot. Bonds8

About 3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide

3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide (PubChem CID 139383495) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide
PubChem CID139383495
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C(C)CCCC1CN(C)CCC1CC1
InChIInChI=1S/C22H34N2O2/c1-16-6-4-9-20(15-24(2)13-12-17-10-11-17)22(16,26-3)19-8-5-7-18(14-19)21(23)25/h5,7-8,14,16-17,20H,4,6,9-13,15H2,1-3H3,(H2,23,25)
InChIKeyJBXJAVVRRWKRHT-UHFFFAOYSA-N
XLogP3.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rel-3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)benzamide
CID 11521945
3-((1R,5S,9r)-3-((1-fluorocyclopropyl)methyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383186
3-((1R,5S,9r)-3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383278
3-[3-(3,3-Difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139383292
3-((1R,5S,9R)-3-((1R,3r,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383428
3-((1R,5S,9r)-3-(4,4-difluorocyclohexyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383540
3-((1R,5S,9r)-9-methoxy-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139387223
3-(4-Propylmorpholin-2-yl)benzamide
CID 44443914
Synthesis of (1R,5S,9r)-9-(3-iodophenyl)-3-methyl-9-(2,2,2-trifluoroethoxy)-3-azabicyclo[3.3.1]nonane
CID 139383512
Synthesis of 2-fluoro-3-((1R,5S,9r)-9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl trifluoromethanesulfonate
CID 139383548
Synthesis of (1R,5S,9r)-3-(cyclopropylmethyl)-9-ethoxy-9-(3-iodophenyl)-3-azabicyclo[3.3.1]nonane
CID 139383175
Synthesis of 1-((tetrahydro-2H-pyran-2-yl)oxy)cyclopropanecarboxylic acid
CID 139383180

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide?
The IUPAC name of 3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide (CID 139383495) is 3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide.
What is the SMILES notation for 3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide?
The canonical SMILES for 3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide is COC1(c2cccc(C(N)=O)c2)C(C)CCCC1CN(C)CCC1CC1.
What is the InChIKey of 3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide?
The InChIKey is JBXJAVVRRWKRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-16-6-4-9-20(15-24(2)13-12-17-10-11-17)22(16,26-3)19-8-5-7-18(14-19)21(23)25/h5,7-8,14,16-17,20H,4,6,9-13,15H2,1-3H3,(H2,23,25).
What are the key properties of 3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide?
3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide has a molecular weight of 358.53 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide is sourced from PubChem (CID 139383495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).