N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

C17H24N2O2 — CID 17080521

IUPACN-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCCCCCNC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-2-3-4-8-11-18-17(21)14-12-16(20)19(13-14)15-9-6-5-7-10-15/h5-7,9-10,14H,2-4,8,11-13H2,1H3,(H,18,21)
InChIKeyHNKCPPRXSYTNFN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.74
Rot. Bonds7

About N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17080521) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17080521
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCCCCCNC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-2-3-4-8-11-18-17(21)14-12-16(20)19(13-14)15-9-6-5-7-10-15/h5-7,9-10,14H,2-4,8,11-13H2,1H3,(H,18,21)
InChIKeyHNKCPPRXSYTNFN-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.74
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

1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 7033209
N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153813
N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110421652
1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113188805
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110627914
ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate
CID 29136225
N-heptan-2-yl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687120
1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191264
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17080521) is N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCCCCCNC(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is HNKCPPRXSYTNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-3-4-8-11-18-17(21)14-12-16(20)19(13-14)15-9-6-5-7-10-15/h5-7,9-10,14H,2-4,8,11-13H2,1H3,(H,18,21).
What are the key properties of N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17080521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).