N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide

C19H28N2O2 — CID 86810390

IUPACN-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESCCCCCCCCNC(=O)C1C(=O)NCC1c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-2-3-4-5-6-10-13-20-18(22)17-16(14-21-19(17)23)15-11-8-7-9-12-15/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyWHGXNQLZRICPHH-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.99
Rot. Bonds9

About N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide

N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide (PubChem CID 86810390) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
PubChem CID86810390
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESCCCCCCCCNC(=O)C1C(=O)NCC1c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-2-3-4-5-6-10-13-20-18(22)17-16(14-21-19(17)23)15-11-8-7-9-12-15/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyWHGXNQLZRICPHH-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438428
(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822739
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822738
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810389
(3R)-4-benzyl-3-tetradecanoylpyrrolidin-2-one
CID 156771960
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11992199
N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11961320
(4R)-2-benzyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 44586638
N-dodecyl-2,2-diphenylacetamide
CID 5143289
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11992296

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide (CID 86810390) is N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide is CCCCCCCCNC(=O)C1C(=O)NCC1c1ccccc1.
What is the InChIKey of N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is WHGXNQLZRICPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-3-4-5-6-10-13-20-18(22)17-16(14-21-19(17)23)15-11-8-7-9-12-15/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide?
N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 86810390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).