N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C18H25N3O3 — CID 6461546

IUPACN-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c22-17-13-15(14-21(17)16-5-2-1-3-6-16)18(23)19-7-4-8-20-9-11-24-12-10-20/h1-3,5-6,15H,4,7-14H2,(H,19,23)
InChIKeyZVAXOJIUXWMRMH-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.88
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 6461546) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID6461546
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c22-17-13-15(14-21(17)16-5-2-1-3-6-16)18(23)19-7-4-8-20-9-11-24-12-10-20/h1-3,5-6,15H,4,7-14H2,(H,19,23)
InChIKeyZVAXOJIUXWMRMH-UHFFFAOYSA-N
XLogP0.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chlorophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 217803
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamide
CID 844901
1-Benzyl-3-(4-(4-morpholinyl)anilino)-2,5-pyrrolidinedione
CID 2861706
1-cyclohexyl-N-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2984958
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3161308
1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 597131
3-(2,6-dimethyl-4-morpholinyl)-N-(2-fluorophenyl)propanamide
CID 2901892
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 2963140
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3127068
N-cyclopropyl-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3148502

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 6461546) is N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCCCN1CCOCC1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is ZVAXOJIUXWMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17-13-15(14-21(17)16-5-2-1-3-6-16)18(23)19-7-4-8-20-9-11-24-12-10-20/h1-3,5-6,15H,4,7-14H2,(H,19,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6461546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).