methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate

C18H25NO5 — CID 112535145

IUPACmethyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(O)(CNC(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C18H25NO5/c1-12-4-5-15(23-2)14(10-12)16(20)19-11-18(22)8-6-13(7-9-18)17(21)24-3/h4-5,10,13,22H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyWHQGKIKCBPTUNF-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.83
Rot. Bonds5

About methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate

methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 112535145) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID112535145
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Namemethyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(O)(CNC(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C18H25NO5/c1-12-4-5-15(23-2)14(10-12)16(20)19-11-18(22)8-6-13(7-9-18)17(21)24-3/h4-5,10,13,22H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyWHQGKIKCBPTUNF-UHFFFAOYSA-N
XLogP1.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide
CID 114189599
methyl 4-hydroxy-4-[[(2-pyridin-4-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 112535118
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
N-[(3-aminocyclopentyl)methyl]-2-methoxy-5-methylbenzamide
CID 106121411
5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-methoxybenzamide
CID 146080294
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide
CID 71989711
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646
methyl 4-(2-methoxy-4-methylphenoxy)sulfonylcyclohexane-1-carboxylate
CID 126835155

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate (CID 112535145) is methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(O)(CNC(=O)c2cc(C)ccc2OC)CC1.
What is the InChIKey of methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is WHQGKIKCBPTUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12-4-5-15(23-2)14(10-12)16(20)19-11-18(22)8-6-13(7-9-18)17(21)24-3/h4-5,10,13,22H,6-9,11H2,1-3H3,(H,19,20).
What are the key properties of methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 112535145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).