2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide

C15H23N3O — CID 79195677

IUPAC2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C15H23N3O/c1-12(11-16-2)15(19)17-13-7-3-4-8-14(13)18-9-5-6-10-18/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3,(H,17,19)
InChIKeyOACVIWXXLVWUIY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.08
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide

2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 79195677) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
PubChem CID79195677
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C15H23N3O/c1-12(11-16-2)15(19)17-13-7-3-4-8-14(13)18-9-5-6-10-18/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3,(H,17,19)
InChIKeyOACVIWXXLVWUIY-UHFFFAOYSA-N
XLogP2.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119859815
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704
(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 107568445
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 39911850
N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119844180
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 52914895
N-[2-(azepan-1-yl)phenyl]-2-hydroxy-2-phenylacetamide
CID 111432238

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide (CID 79195677) is 2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide is CNCC(C)C(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is OACVIWXXLVWUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(11-16-2)15(19)17-13-7-3-4-8-14(13)18-9-5-6-10-18/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 79195677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).