N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide

C14H20N2O2 — CID 89036511

IUPACN-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2)c(C)c(C)c1O
InChIInChI=1S/C14H20N2O2/c1-8-7-12(9(2)10(3)13(8)17)16-14(18)11-5-4-6-15-11/h7,11,15,17H,4-6H2,1-3H3,(H,16,18)
InChIKeyDKFWSROTJRFQIE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds2

About N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide

N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 89036511) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID89036511
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2)c(C)c(C)c1O
InChIInChI=1S/C14H20N2O2/c1-8-7-12(9(2)10(3)13(8)17)16-14(18)11-5-4-6-15-11/h7,11,15,17H,4-6H2,1-3H3,(H,16,18)
InChIKeyDKFWSROTJRFQIE-UHFFFAOYSA-N
XLogP2.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide
CID 165157829
2-methyl-6-[[(2S)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 53360304
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide (CID 89036511) is N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)C2CCCN2)c(C)c(C)c1O.
What is the InChIKey of N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is DKFWSROTJRFQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-8-7-12(9(2)10(3)13(8)17)16-14(18)11-5-4-6-15-11/h7,11,15,17H,4-6H2,1-3H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide?
N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 89036511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).