5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide

C19H28N2O2 — CID 113185311

IUPAC5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-2-3-7-12-20-19(23)17-14-18(22)21(15-17)13-8-11-16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3,(H,20,23)
InChIKeyAKXWJOWOSVWSCD-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.77
Rot. Bonds9

About 5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide

5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide (PubChem CID 113185311) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
PubChem CID113185311
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-2-3-7-12-20-19(23)17-14-18(22)21(15-17)13-8-11-16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3,(H,20,23)
InChIKeyAKXWJOWOSVWSCD-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
N-[2-(3-chlorophenyl)ethyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185316
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 9373889
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185261
(3S)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 95130021
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182004
N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 6624412
1-[(2-chlorophenyl)methyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113183631
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 43008531
N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185321

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide (CID 113185311) is 5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide is CCCCCNC(=O)C1CC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of 5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is AKXWJOWOSVWSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-3-7-12-20-19(23)17-14-18(22)21(15-17)13-8-11-16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3,(H,20,23).
What are the key properties of 5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide?
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113185311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).