(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide

C14H21N3O — CID 61260470

IUPAC(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
SMILESCN(CCNC(=O)[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-17(12-6-3-2-4-7-12)11-10-16-14(18)13-8-5-9-15-13/h2-4,6-7,13,15H,5,8-11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyBHRKNBGRNKYFIB-ZDUSSCGKSA-N
MW247.34 g/mol
LogP0.99
Rot. Bonds5

About (2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide

(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 61260470) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
PubChem CID61260470
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
SMILESCN(CCNC(=O)[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-17(12-6-3-2-4-7-12)11-10-16-14(18)13-8-5-9-15-13/h2-4,6-7,13,15H,5,8-11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyBHRKNBGRNKYFIB-ZDUSSCGKSA-N
XLogP0.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(N-methylanilino)ethyl]piperidine-2-carboxamide
CID 103813393
4-ethyl-N-[2-(N-methylanilino)ethyl]piperidine-2-carboxamide
CID 114428740
N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
CID 60717546
N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119837640
N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
CID 61259552
cis-(1R,2S)-2-[2-(N-methylanilino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124524957
(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62641676
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
(2S)-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62639882
N-(2-phenylsulfanylethyl)pyrrolidine-2-carboxamide
CID 60717864
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide (CID 61260470) is (2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide is CN(CCNC(=O)[C@@H]1CCCN1)c1ccccc1.
What is the InChIKey of (2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BHRKNBGRNKYFIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(12-6-3-2-4-7-12)11-10-16-14(18)13-8-5-9-15-13/h2-4,6-7,13,15H,5,8-11H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61260470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).