5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide

C25H29N3O3 — CID 42785508

IUPAC5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c(C)n2-c2ccccc2)cc1
InChIInChI=1S/C25H29N3O3/c1-19-23(25(29)26-12-13-27-14-16-31-17-15-27)18-24(20-8-10-22(30-2)11-9-20)28(19)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,26,29)
InChIKeyARCPFKCGHMZFCN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.52
Rot. Bonds7

About 5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide

5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide (PubChem CID 42785508) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
PubChem CID42785508
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c(C)n2-c2ccccc2)cc1
InChIInChI=1S/C25H29N3O3/c1-19-23(25(29)26-12-13-27-14-16-31-17-15-27)18-24(20-8-10-22(30-2)11-9-20)28(19)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,26,29)
InChIKeyARCPFKCGHMZFCN-UHFFFAOYSA-N
XLogP3.52
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
CID 7231138
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863
5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 42785629
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide (CID 42785508) is 5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c(C)n2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The InChIKey is ARCPFKCGHMZFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19-23(25(29)26-12-13-27-14-16-31-17-15-27)18-24(20-8-10-22(30-2)11-9-20)28(19)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,26,29).
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 42785508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).