2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide

C21H27N3O3 — CID 3245784

IUPAC2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCC(C(=O)NCCCN1CCOCC1)n1cccc1C(=O)c1ccccc1
InChIInChI=1S/C21H27N3O3/c1-17(21(26)22-10-6-11-23-13-15-27-16-14-23)24-12-5-9-19(24)20(25)18-7-3-2-4-8-18/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,22,26)
InChIKeyYZOVCXXKYVNIML-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.12
Rot. Bonds8

About 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide

2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 3245784) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID3245784
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCC(C(=O)NCCCN1CCOCC1)n1cccc1C(=O)c1ccccc1
InChIInChI=1S/C21H27N3O3/c1-17(21(26)22-10-6-11-23-13-15-27-16-14-23)24-12-5-9-19(24)20(25)18-7-3-2-4-8-18/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,22,26)
InChIKeyYZOVCXXKYVNIML-UHFFFAOYSA-N
XLogP2.12
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 60788
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
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CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide
CID 53382545
CID 24861238
CID 24861238

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide (CID 3245784) is 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide is CC(C(=O)NCCCN1CCOCC1)n1cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is YZOVCXXKYVNIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-17(21(26)22-10-6-11-23-13-15-27-16-14-23)24-12-5-9-19(24)20(25)18-7-3-2-4-8-18/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,22,26).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 3245784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).