methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate

C18H25NO5 — CID 108767495

IUPACmethyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H25NO5/c1-22-14-8-13(9-15(10-14)23-2)17(20)19-11-12-6-4-5-7-16(12)18(21)24-3/h8-10,12,16H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyZEHJGDWZJCMAIL-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.41
Rot. Bonds6

About methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108767495) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID108767495
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Namemethyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H25NO5/c1-22-14-8-13(9-15(10-14)23-2)17(20)19-11-12-6-4-5-7-16(12)18(21)24-3/h8-10,12,16H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyZEHJGDWZJCMAIL-UHFFFAOYSA-N
XLogP2.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[[3,5-bis(trifluoromethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767618
N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
CID 114317235
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857
3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416341
methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745195
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
methyl 2-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 108797803
methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 108745201
methyl 2-[[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108745293
N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113052925
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate (CID 108767495) is methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is ZEHJGDWZJCMAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-22-14-8-13(9-15(10-14)23-2)17(20)19-11-12-6-4-5-7-16(12)18(21)24-3/h8-10,12,16H,4-7,11H2,1-3H3,(H,19,20).
What are the key properties of methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108767495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).