5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide

C23H33N3O2 — CID 3861344

IUPAC5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C23H33N3O2/c1-3-4-11-20-22(19-9-6-5-7-10-19)21(23(24)27)18(2)26(20)13-8-12-25-14-16-28-17-15-25/h5-7,9-10H,3-4,8,11-17H2,1-2H3,(H2,24,27)
InChIKeyBBTSLMPEUGLQEE-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.63
Rot. Bonds9

About 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide

5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide (PubChem CID 3861344) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
PubChem CID3861344
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C23H33N3O2/c1-3-4-11-20-22(19-9-6-5-7-10-19)21(23(24)27)18(2)26(20)13-8-12-25-14-16-28-17-15-25/h5-7,9-10H,3-4,8,11-17H2,1-2H3,(H2,24,27)
InChIKeyBBTSLMPEUGLQEE-UHFFFAOYSA-N
XLogP3.63
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3480119
methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]benzoate
CID 3854944
4-[4-(dimethylamino)phenyl]-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3666934
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
CID 3746110
5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 3608616
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-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 4585564
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
2-methyl-4-(4-methylphenyl)-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3758557
methyl 3-[4-carbamoyl-3-(2-chlorophenyl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-2-yl]propanoate
CID 3718926
5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3483517

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide?
The IUPAC name of 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide (CID 3861344) is 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide is CCCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1CCCN1CCOCC1.
What is the InChIKey of 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide?
The InChIKey is BBTSLMPEUGLQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-3-4-11-20-22(19-9-6-5-7-10-19)21(23(24)27)18(2)26(20)13-8-12-25-14-16-28-17-15-25/h5-7,9-10H,3-4,8,11-17H2,1-2H3,(H2,24,27).
What are the key properties of 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide?
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 3861344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).