N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide

C14H20N2O — CID 82495808

IUPACN-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2)cc1C
InChIInChI=1S/C14H20N2O/c1-10-5-6-12(8-11(10)2)9-16-14(17)13-4-3-7-15-13/h5-6,8,13,15H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyGCNGZCDJAGBHIP-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.67
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide

N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 82495808) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID82495808
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2)cc1C
InChIInChI=1S/C14H20N2O/c1-10-5-6-12(8-11(10)2)9-16-14(17)13-4-3-7-15-13/h5-6,8,13,15H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyGCNGZCDJAGBHIP-UHFFFAOYSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
CID 103812920
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide (CID 82495808) is N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1ccc(CNC(=O)C2CCCN2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is GCNGZCDJAGBHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-5-6-12(8-11(10)2)9-16-14(17)13-4-3-7-15-13/h5-6,8,13,15H,3-4,7,9H2,1-2H3,(H,16,17).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide?
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 82495808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).