5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide

C72H86N6O7 — CID 161104087

IUPAC5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide
SMILESC.CCCc1c(-c2cccc(C)c2)c(C(N)=O)c(C)n1CCc1ccc(OC)cc1.CCc1c(-c2cccc(C)c2)c(C(N)=O)c(C)n1CCc1ccc(OC)cc1.CCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCc1ccc(O)cc1
InChIInChI=1S/C25H30N2O2.C24H28N2O2.C22H24N2O3.CH4/c1-5-7-22-24(20-9-6-8-17(2)16-20)23(25(26)28)18(3)27(22)15-14-19-10-12-21(29-4)13-11-19;1-5-21-23(19-8-6-7-16(2)15-19)22(24(25)27)17(3)26(21)14-13-18-9-11-20(28-4)12-10-18;1-3-19-21(16-5-4-6-18(26)13-16)20(22(23)27)14(2)24(19)12-11-15-7-9-17(25)10-8-15;/h6,8-13,16H,5,7,14-15H2,1-4H3,(H2,26,28);6-12,15H,5,13-14H2,1-4H3,(H2,25,27);4-10,13,25-26H,3,11-12H2,1-2H3,(H2,23,27);1H4
InChIKeyUIUWVYVQAFTHAY-UHFFFAOYSA-N
MW1147.51 g/mol
LogP14.17
Rot. Bonds21

About 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide

5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide (PubChem CID 161104087) has the molecular formula C72H86N6O7 and a molecular weight of 1147.51 g/mol. Its IUPAC name is 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide
PubChem CID161104087
Molecular FormulaC72H86N6O7
Molecular Weight1147.51 g/mol
Exact Mass1146.66
IUPAC Name5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide
SMILESC.CCCc1c(-c2cccc(C)c2)c(C(N)=O)c(C)n1CCc1ccc(OC)cc1.CCc1c(-c2cccc(C)c2)c(C(N)=O)c(C)n1CCc1ccc(OC)cc1.CCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCc1ccc(O)cc1
InChIInChI=1S/C25H30N2O2.C24H28N2O2.C22H24N2O3.CH4/c1-5-7-22-24(20-9-6-8-17(2)16-20)23(25(26)28)18(3)27(22)15-14-19-10-12-21(29-4)13-11-19;1-5-21-23(19-8-6-7-16(2)15-19)22(24(25)27)17(3)26(21)14-13-18-9-11-20(28-4)12-10-18;1-3-19-21(16-5-4-6-18(26)13-16)20(22(23)27)14(2)24(19)12-11-15-7-9-17(25)10-8-15;/h6,8-13,16H,5,7,14-15H2,1-4H3,(H2,26,28);6-12,15H,5,13-14H2,1-4H3,(H2,25,27);4-10,13,25-26H,3,11-12H2,1-2H3,(H2,23,27);1H4
InChIKeyUIUWVYVQAFTHAY-UHFFFAOYSA-N
XLogP14.17
TPSA202.98 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.51
LogP ≤ 514.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide with MolForge

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-propyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3775192
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carbaldehyde
CID 130305924
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962
4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3863874
1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3702538
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3831204
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
methyl 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3730856
4-(2-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3864438
4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3737651

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide (CID 161104087) is 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide is C.CCCc1c(-c2cccc(C)c2)c(C(N)=O)c(C)n1CCc1ccc(OC)cc1.CCc1c(-c2cccc(C)c2)c(C(N)=O)c(C)n1CCc1ccc(OC)cc1.CCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCc1ccc(O)cc1.
What is the InChIKey of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide?
The InChIKey is UIUWVYVQAFTHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2.C24H28N2O2.C22H24N2O3.CH4/c1-5-7-22-24(20-9-6-8-17(2)16-20)23(25(26)28)18(3)27(22)15-14-19-10-12-21(29-4)13-11-19;1-5-21-23(19-8-6-7-16(2)15-19)22(24(25)27)17(3)26(21)14-13-18-9-11-20(28-4)12-10-18;1-3-19-21(16-5-4-6-18(26)13-16)20(22(23)27)14(2)24(19)12-11-15-7-9-17(25)10-8-15;/h6,8-13,16H,5,7,14-15H2,1-4H3,(H2,26,28);6-12,15H,5,13-14H2,1-4H3,(H2,25,27);4-10,13,25-26H,3,11-12H2,1-2H3,(H2,23,27);1H4.
What are the key properties of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide?
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide has a molecular weight of 1147.51 g/mol, XLogP of 14.17, 21 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 161104087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).