methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate

C16H21NO4 — CID 114450493

IUPACmethyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C16H21NO4/c1-20-16(19)12-5-7-14(8-6-12)21-10-11-3-2-4-13(9-11)15(17)18/h2-4,9,12,14H,5-8,10H2,1H3,(H2,17,18)
InChIKeyQWUFGBBGKXWMNG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.03
Rot. Bonds5

About methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate

methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate (PubChem CID 114450493) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate
PubChem CID114450493
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C16H21NO4/c1-20-16(19)12-5-7-14(8-6-12)21-10-11-3-2-4-13(9-11)15(17)18/h2-4,9,12,14H,5-8,10H2,1H3,(H2,17,18)
InChIKeyQWUFGBBGKXWMNG-UHFFFAOYSA-N
XLogP2.03
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-aminocyclohexyl)oxymethyl]benzamide
CID 62807395
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
CID 114342641
methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate
CID 107305584
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid
CID 114451068
methyl 4-[(5-bromo-3-pyridinyl)methoxy]cyclohexane-1-carboxylate
CID 114450840
3-(oxetan-3-yloxymethyl)benzohydrazide
CID 102608436
(4-phenylmethoxycyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 144529311
(3-ethylphenyl)methyl cyclopropanecarboxylate
CID 137495375
3-[(3-methoxycarbonylphenyl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 146487208
(3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 55641866

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate (CID 114450493) is methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate is COC(=O)C1CCC(OCc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate?
The InChIKey is QWUFGBBGKXWMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-16(19)12-5-7-14(8-6-12)21-10-11-3-2-4-13(9-11)15(17)18/h2-4,9,12,14H,5-8,10H2,1H3,(H2,17,18).
What are the key properties of methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate?
methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 114450493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).