1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

C19H30N2O — CID 3916736

IUPAC1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCCCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H30N2O/c1-5-6-7-10-21-11-8-9-17(21)19(22)20-18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3,(H,20,22)
InChIKeyLLLKFHBUBLEWAT-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.20
Rot. Bonds6

About 1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 3916736) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID3916736
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCCCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H30N2O/c1-5-6-7-10-21-11-8-9-17(21)19(22)20-18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3,(H,20,22)
InChIKeyLLLKFHBUBLEWAT-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.20
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

(2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 670539
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2S)-N-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
CID 24892800
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
CID 66615074
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide
CID 122503909
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909298
(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide (CID 3916736) is 1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide is CCCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is LLLKFHBUBLEWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-6-7-10-21-11-8-9-17(21)19(22)20-18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3,(H,20,22).
What are the key properties of 1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3916736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).