(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide

C14H20N2O — CID 103794860

IUPAC(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCCN(C(=O)[C@H]1CCCN1)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O/c1-3-16(12-8-6-11(2)7-9-12)14(17)13-5-4-10-15-13/h6-9,13,15H,3-5,10H2,1-2H3/t13-/m1/s1
InChIKeyPPUKMDHNACZXGM-CYBMUJFWSA-N
MW232.33 g/mol
LogP2.10
Rot. Bonds3

About (2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide

(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 103794860) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID103794860
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCCN(C(=O)[C@H]1CCCN1)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O/c1-3-16(12-8-6-11(2)7-9-12)14(17)13-5-4-10-15-13/h6-9,13,15H,3-5,10H2,1-2H3/t13-/m1/s1
InChIKeyPPUKMDHNACZXGM-CYBMUJFWSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
N,4-diethyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 114428881
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61160891
2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61161284
N-ethyl-N-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 76876121
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-butyl-N-phenylpiperidine-2-carboxamide
CID 64587130
(2S)-N-butyl-N-phenylpiperidine-2-carboxamide
CID 104914056
3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 63046107

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide (CID 103794860) is (2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide is CCN(C(=O)[C@H]1CCCN1)c1ccc(C)cc1.
What is the InChIKey of (2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is PPUKMDHNACZXGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-16(12-8-6-11(2)7-9-12)14(17)13-5-4-10-15-13/h6-9,13,15H,3-5,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103794860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).