2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide

C14H21N3O — CID 103576816

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide
SMILESCC1CN(C(C)C(=O)Nc2ccccc2)CC1N
InChIInChI=1S/C14H21N3O/c1-10-8-17(9-13(10)15)11(2)14(18)16-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3,(H,16,18)
InChIKeyLEHGNLHLQBNUEE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.29
Rot. Bonds3

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide (PubChem CID 103576816) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide
PubChem CID103576816
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide
SMILESCC1CN(C(C)C(=O)Nc2ccccc2)CC1N
InChIInChI=1S/C14H21N3O/c1-10-8-17(9-13(10)15)11(2)14(18)16-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3,(H,16,18)
InChIKeyLEHGNLHLQBNUEE-UHFFFAOYSA-N
XLogP1.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 120760203
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide
CID 103576964
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-phenylpropanamide
CID 102683231
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 80702099
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide (CID 103576816) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide is CC1CN(C(C)C(=O)Nc2ccccc2)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide?
The InChIKey is LEHGNLHLQBNUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-17(9-13(10)15)11(2)14(18)16-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 103576816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).