(2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

C19H30N2O — CID 670539

IUPAC(2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@H]2CCCN2CCC(C)C)c(C)c1
InChIInChI=1S/C19H30N2O/c1-13(2)8-10-21-9-6-7-17(21)19(22)20-18-15(4)11-14(3)12-16(18)5/h11-13,17H,6-10H2,1-5H3,(H,20,22)/t17-/m1/s1
InChIKeyNDTLIXTXZSLPIO-QGZVFWFLSA-N
MW302.46 g/mol
LogP4.06
Rot. Bonds5

About (2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

(2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 670539) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID670539
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@H]2CCCN2CCC(C)C)c(C)c1
InChIInChI=1S/C19H30N2O/c1-13(2)8-10-21-9-6-7-17(21)19(22)20-18-15(4)11-14(3)12-16(18)5/h11-13,17H,6-10H2,1-5H3,(H,20,22)/t17-/m1/s1
InChIKeyNDTLIXTXZSLPIO-QGZVFWFLSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 3916736
(2S)-N-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
CID 24892800
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909298
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 25280698
1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 173154633
2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110858213
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
CID 41292691
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
N-(4-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
CID 3030441

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide (CID 670539) is (2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide is Cc1cc(C)c(NC(=O)[C@H]2CCCN2CCC(C)C)c(C)c1.
What is the InChIKey of (2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is NDTLIXTXZSLPIO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O/c1-13(2)8-10-21-9-6-7-17(21)19(22)20-18-15(4)11-14(3)12-16(18)5/h11-13,17H,6-10H2,1-5H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
(2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 670539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).