1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide

C19H25N3O3 — CID 5459694

IUPAC1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
SMILESCC1(C(=O)NCCN2CCOCC2)C=CCN1C(=O)c1ccccc1
InChIInChI=1S/C19H25N3O3/c1-19(18(24)20-9-11-21-12-14-25-15-13-21)8-5-10-22(19)17(23)16-6-3-2-4-7-16/h2-8H,9-15H2,1H3,(H,20,24)
InChIKeyLEFRKFQIRCQYGZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.91
Rot. Bonds5

About 1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide

1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide (PubChem CID 5459694) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
PubChem CID5459694
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
SMILESCC1(C(=O)NCCN2CCOCC2)C=CCN1C(=O)c1ccccc1
InChIInChI=1S/C19H25N3O3/c1-19(18(24)20-9-11-21-12-14-25-15-13-21)8-5-10-22(19)17(23)16-6-3-2-4-7-16/h2-8H,9-15H2,1H3,(H,20,24)
InChIKeyLEFRKFQIRCQYGZ-UHFFFAOYSA-N
XLogP0.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Moclobemide
CID 4235
Bavisant
CID 16061509
Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
1-Benzoylpiperazine
CID 762654
N-Benzoylmorpholine
CID 15114
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
Ethyl Hippurate
CID 226558
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-benzamide
CID 775004
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
N-(2-(Diethylamino)ethyl)benzamide
CID 19400

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
The IUPAC name of 1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide (CID 5459694) is 1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide.
What is the SMILES notation for 1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
The canonical SMILES for 1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide is CC1(C(=O)NCCN2CCOCC2)C=CCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
The InChIKey is LEFRKFQIRCQYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(18(24)20-9-11-21-12-14-25-15-13-21)8-5-10-22(19)17(23)16-6-3-2-4-7-16/h2-8H,9-15H2,1H3,(H,20,24).
What are the key properties of 1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 5459694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).