5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide

C21H29N3O3 — CID 3608616

IUPAC5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C21H29N3O3/c1-3-18-20(16-6-4-7-17(25)14-16)19(21(22)26)15(2)24(18)9-5-8-23-10-12-27-13-11-23/h4,6-7,14,25H,3,5,8-13H2,1-2H3,(H2,22,26)
InChIKeyWRNDQVZCFIGRJU-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.55
Rot. Bonds7

About 5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide

5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide (PubChem CID 3608616) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
PubChem CID3608616
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C21H29N3O3/c1-3-18-20(16-6-4-7-17(25)14-16)19(21(22)26)15(2)24(18)9-5-8-23-10-12-27-13-11-23/h4,6-7,14,25H,3,5,8-13H2,1-2H3,(H2,22,26)
InChIKeyWRNDQVZCFIGRJU-UHFFFAOYSA-N
XLogP2.55
TPSA80.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3480119
5-ethyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3836326
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
CID 3861344
4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
CID 3746110
4-[4-(dimethylamino)phenyl]-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3666934
methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]benzoate
CID 3854944
5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3474849
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 4585564
methyl 3-[4-carbamoyl-3-(2-chlorophenyl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-2-yl]propanoate
CID 3718926
5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 5221186
2-methyl-5-pentyl-4-(3-phenoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3814423
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide (CID 3608616) is 5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide is CCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCCN1CCOCC1.
What is the InChIKey of 5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
The InChIKey is WRNDQVZCFIGRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-18-20(16-6-4-7-17(25)14-16)19(21(22)26)15(2)24(18)9-5-8-23-10-12-27-13-11-23/h4,6-7,14,25H,3,5,8-13H2,1-2H3,(H2,22,26).
What are the key properties of 5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide?
5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3608616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).