3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide

C14H21N3O — CID 114263409

IUPAC3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1CC(N)C(c2ccccc2)C1
InChIInChI=1S/C14H21N3O/c1-16-14(18)7-8-17-9-12(13(15)10-17)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18)
InChIKeyODPRXGKPIVSQJB-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.55
Rot. Bonds4

About 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide

3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide (PubChem CID 114263409) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide
PubChem CID114263409
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1CC(N)C(c2ccccc2)C1
InChIInChI=1S/C14H21N3O/c1-16-14(18)7-8-17-9-12(13(15)10-17)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18)
InChIKeyODPRXGKPIVSQJB-UHFFFAOYSA-N
XLogP0.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 120760551
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-bromophenyl)propanamide
CID 120760427
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide;hydrochloride
CID 120760336
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 120760332
methyl 4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylbutanoate
CID 120846805
methyl 4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120846804
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-nitrophenyl)propanamide;hydrochloride
CID 120761626
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 120761345
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide (CID 114263409) is 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide is CNC(=O)CCN1CC(N)C(c2ccccc2)C1.
What is the InChIKey of 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide?
The InChIKey is ODPRXGKPIVSQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-14(18)7-8-17-9-12(13(15)10-17)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18).
What are the key properties of 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide?
3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 114263409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).