N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide

C14H20N2O — CID 82128917

IUPACN-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN2)cc1
InChIInChI=1S/C14H20N2O/c1-2-11-5-7-12(8-6-11)10-16-14(17)13-4-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyRMLKDDUDHFWZTP-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.62
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide

N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 82128917) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID82128917
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN2)cc1
InChIInChI=1S/C14H20N2O/c1-2-11-5-7-12(8-6-11)10-16-14(17)13-4-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyRMLKDDUDHFWZTP-UHFFFAOYSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
(2S)-N-[[2,4,6-triethyl-3,5-bis[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 50906055

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide (CID 82128917) is N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide is CCc1ccc(CNC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RMLKDDUDHFWZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11-5-7-12(8-6-11)10-16-14(17)13-4-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide?
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 82128917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).