4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide

C34H38N6O5 — CID 23731171

IUPAC4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide
SMILESCOc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)cc2)c1
InChIInChI=1S/C34H38N6O5/c1-38-23-28(20-30(38)33(42)35-13-14-40-15-17-45-18-16-40)37-34(43)31-21-27(22-39(31)2)36-32(41)26-11-9-24(10-12-26)7-8-25-5-4-6-29(19-25)44-3/h4-12,19-23H,13-18H2,1-3H3,(H,35,42)(H,36,41)(H,37,43)/b8-7+
InChIKeyHIAQEQTVGOIVIG-BQYQJAHWSA-N
MW610.72 g/mol
LogP4.11
Rot. Bonds11

About 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide

4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide (PubChem CID 23731171) has the molecular formula C34H38N6O5 and a molecular weight of 610.72 g/mol. Its IUPAC name is 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide
PubChem CID23731171
Molecular FormulaC34H38N6O5
Molecular Weight610.72 g/mol
Exact Mass610.29
IUPAC Name4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide
SMILESCOc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)cc2)c1
InChIInChI=1S/C34H38N6O5/c1-38-23-28(20-30(38)33(42)35-13-14-40-15-17-45-18-16-40)37-34(43)31-21-27(22-39(31)2)36-32(41)26-11-9-24(10-12-26)7-8-25-5-4-6-29(19-25)44-3/h4-12,19-23H,13-18H2,1-3H3,(H,35,42)(H,36,41)(H,37,43)/b8-7+
InChIKeyHIAQEQTVGOIVIG-BQYQJAHWSA-N
XLogP4.11
TPSA118.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.72
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-isopentyl-pyrrol-3-yl]-4-[(3-methoxybenzoyl)amino]-1-methyl-pyrrole-2-carboxamide
CID 3009876
N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-YL)-1H-indole-6-carboxamide
CID 44526776
N-[2-[(2S)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164616722
2-[(E)-2-(4-methoxyphenyl)vinyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholinoethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide
CID 23730381
1-methyl-N-[1-methyl-5-(2-morpholinoethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-(4-pyridyl)vinyl]benzoyl]amino]pyrrole-2-carboxamide
CID 23730503
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-2-carboxamide
CID 44218487
2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 44467270
N-ethyl-2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 44467496
N-cyclopropyl-2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 44467917
N-[(3S)-3-[(3-ethoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 59475183
1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoyl]amino]pyrrole-2-carboxamide
CID 127047435
6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[5-(2-morpholin-4-ylethylcarbamoyl)-1-propan-2-ylpyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide
CID 127051741

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide (CID 23731171) is 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide is COc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)cc2)c1.
What is the InChIKey of 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide?
The InChIKey is HIAQEQTVGOIVIG-BQYQJAHWSA-N. The full InChI is InChI=1S/C34H38N6O5/c1-38-23-28(20-30(38)33(42)35-13-14-40-15-17-45-18-16-40)37-34(43)31-21-27(22-39(31)2)36-32(41)26-11-9-24(10-12-26)7-8-25-5-4-6-29(19-25)44-3/h4-12,19-23H,13-18H2,1-3H3,(H,35,42)(H,36,41)(H,37,43)/b8-7+.
What are the key properties of 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide?
4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide has a molecular weight of 610.72 g/mol, XLogP of 4.11, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 23731171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).