methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate

C20H25NO4 — CID 134853343

IUPACmethyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate
SMILESCOC(=O)C1=C(c2ccc(C)cc2)C(=O)N(C2CCCCC2)C1(C)O
InChIInChI=1S/C20H25NO4/c1-13-9-11-14(12-10-13)16-17(19(23)25-3)20(2,24)21(18(16)22)15-7-5-4-6-8-15/h9-12,15,24H,4-8H2,1-3H3
InChIKeyPRCDEKFBWXLWPX-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.81
Rot. Bonds3

About methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate

methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate (PubChem CID 134853343) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate
PubChem CID134853343
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namemethyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate
SMILESCOC(=O)C1=C(c2ccc(C)cc2)C(=O)N(C2CCCCC2)C1(C)O
InChIInChI=1S/C20H25NO4/c1-13-9-11-14(12-10-13)16-17(19(23)25-3)20(2,24)21(18(16)22)15-7-5-4-6-8-15/h9-12,15,24H,4-8H2,1-3H3
InChIKeyPRCDEKFBWXLWPX-UHFFFAOYSA-N
XLogP2.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propyl-1,6-dihydro-3-pyridinecarboxylate
CID 54694325
4-Acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one
CID 102356288
Ethyl 4-[(4-acetylphenyl)methyl]-1-benzyl-5-ethyl-5-methyl-2-oxopyrrole-3-carboxylate
CID 134971309
Ethyl 7-hydroxy-5-oxo-6-phenyl-1,2,3-trihydroindolizine-8-carboxylate
CID 54691175
Dimethyl 1-cyclohexyl-2-hydroxy-5-oxo-2-phenylpyrrole-3,4-dicarboxylate
CID 101859308
Ditert-butyl 1-cyclohexyl-2-hydroxy-5-oxo-2-phenylpyrrole-3,4-dicarboxylate
CID 134853644
N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide
CID 67938945
8-O-tert-butyl 2-O-methyl 3-[4-(3-hydroxypropyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
CID 142678860
8-O-tert-butyl 2-O-methyl (1R,5R)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octa-2,6-diene-2,8-dicarboxylate
CID 154066591
methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate
CID 11164925
4-Hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid
CID 54677093
Ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate
CID 54687763

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate?
The IUPAC name of methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate (CID 134853343) is methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate?
The canonical SMILES for methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate is COC(=O)C1=C(c2ccc(C)cc2)C(=O)N(C2CCCCC2)C1(C)O.
What is the InChIKey of methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate?
The InChIKey is PRCDEKFBWXLWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13-9-11-14(12-10-13)16-17(19(23)25-3)20(2,24)21(18(16)22)15-7-5-4-6-8-15/h9-12,15,24H,4-8H2,1-3H3.
What are the key properties of methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate?
methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate has a molecular weight of 343.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate is sourced from PubChem (CID 134853343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).