methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate

C19H27NO4 — CID 91596177

IUPACmethyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate
SMILESCOC(=O)C(NC(=O)C(C)Cc1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C19H27NO4/c1-13(12-14-8-10-16(21)11-9-14)18(22)20-17(19(23)24-2)15-6-4-3-5-7-15/h8-11,13,15,17,21H,3-7,12H2,1-2H3,(H,20,22)
InChIKeyBOPLDFRWVQCLGL-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.81
Rot. Bonds6

About methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate

methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate (PubChem CID 91596177) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate
PubChem CID91596177
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Namemethyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate
SMILESCOC(=O)C(NC(=O)C(C)Cc1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C19H27NO4/c1-13(12-14-8-10-16(21)11-9-14)18(22)20-17(19(23)24-2)15-6-4-3-5-7-15/h8-11,13,15,17,21H,3-7,12H2,1-2H3,(H,20,22)
InChIKeyBOPLDFRWVQCLGL-UHFFFAOYSA-N
XLogP2.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate?
The IUPAC name of methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate (CID 91596177) is methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate.
What is the SMILES notation for methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate?
The canonical SMILES for methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate is COC(=O)C(NC(=O)C(C)Cc1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate?
The InChIKey is BOPLDFRWVQCLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-13(12-14-8-10-16(21)11-9-14)18(22)20-17(19(23)24-2)15-6-4-3-5-7-15/h8-11,13,15,17,21H,3-7,12H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate?
methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate has a molecular weight of 333.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate is sourced from PubChem (CID 91596177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).