N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide

C14H20N2O — CID 82495828

IUPACN-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCN2)cc1C
InChIInChI=1S/C14H20N2O/c1-9-7-11(3)13(8-10(9)2)16-14(17)12-5-4-6-15-12/h7-8,12,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyOJDYBOSIYQDZHX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.30
Rot. Bonds2

About N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide

N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 82495828) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID82495828
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCN2)cc1C
InChIInChI=1S/C14H20N2O/c1-9-7-11(3)13(8-10(9)2)16-14(17)12-5-4-6-15-12/h7-8,12,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyOJDYBOSIYQDZHX-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 89036511
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide
CID 104914716
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide (CID 82495828) is N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide is Cc1cc(C)c(NC(=O)C2CCCN2)cc1C.
What is the InChIKey of N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is OJDYBOSIYQDZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-7-11(3)13(8-10(9)2)16-14(17)12-5-4-6-15-12/h7-8,12,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide?
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 82495828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).