N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide

C15H22N2O — CID 83632123

IUPACN-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(CCNC(=O)C2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-11-8-12(2)10-13(9-11)5-7-17-15(18)14-4-3-6-16-14/h8-10,14,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyLSCWUQQYGOQPBZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.71
Rot. Bonds4

About N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide

N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 83632123) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID83632123
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(CCNC(=O)C2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-11-8-12(2)10-13(9-11)5-7-17-15(18)14-4-3-6-16-14/h8-10,14,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyLSCWUQQYGOQPBZ-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide
CID 91660203
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
N-propylpyrrolidine-2-carboxamide
CID 4984185
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119264764
N-[2-(2,6-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 119326210
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 119271907
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119320896
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 83632123) is N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide is Cc1cc(C)cc(CCNC(=O)C2CCCN2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is LSCWUQQYGOQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-8-12(2)10-13(9-11)5-7-17-15(18)14-4-3-6-16-14/h8-10,14,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83632123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).