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

C24H35N3O3 — CID 3480119

IUPAC4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C24H35N3O3/c1-3-4-5-10-21-23(19-8-6-9-20(28)17-19)22(24(25)29)18(2)27(21)12-7-11-26-13-15-30-16-14-26/h6,8-9,17,28H,3-5,7,10-16H2,1-2H3,(H2,25,29)
InChIKeyPYHBXIARPFCWLV-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.72
Rot. Bonds10

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

4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide (PubChem CID 3480119) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
PubChem CID3480119
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C24H35N3O3/c1-3-4-5-10-21-23(19-8-6-9-20(28)17-19)22(24(25)29)18(2)27(21)12-7-11-26-13-15-30-16-14-26/h6,8-9,17,28H,3-5,7,10-16H2,1-2H3,(H2,25,29)
InChIKeyPYHBXIARPFCWLV-UHFFFAOYSA-N
XLogP3.72
TPSA80.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 3608616
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-(3-morpholin-4-ylpropyl)-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3836326
2-methyl-5-pentyl-4-(3-phenoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3814423
4-(3-fluorophenyl)-2-methyl-5-pentyl-1-propylpyrrole-3-carboxamide
CID 3697404
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 4585564
2-methyl-4-(4-methylphenyl)-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3758557
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3737651

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide (CID 3480119) is 4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide is CCCCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCCN1CCOCC1.
What is the InChIKey of 4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide?
The InChIKey is PYHBXIARPFCWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-3-4-5-10-21-23(19-8-6-9-20(28)17-19)22(24(25)29)18(2)27(21)12-7-11-26-13-15-30-16-14-26/h6,8-9,17,28H,3-5,7,10-16H2,1-2H3,(H2,25,29).
What are the key properties of 4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide?
4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide is sourced from PubChem (CID 3480119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).