(2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide

C20H25N3O — CID 124863962

IUPAC(2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide
SMILESC[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H25N3O/c1-15(20(24)22-17-11-7-4-8-12-17)21-18-13-14-23(2)19(18)16-9-5-3-6-10-16/h3-12,15,18-19,21H,13-14H2,1-2H3,(H,22,24)/t15-,18+,19-/m0/s1
InChIKeyVHQHEQNRFPSJPC-IPELMVKDSA-N
MW323.44 g/mol
LogP3.05
Rot. Bonds5

About (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide

(2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide (PubChem CID 124863962) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide
PubChem CID124863962
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide
SMILESC[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H25N3O/c1-15(20(24)22-17-11-7-4-8-12-17)21-18-13-14-23(2)19(18)16-9-5-3-6-10-16/h3-12,15,18-19,21H,13-14H2,1-2H3,(H,22,24)/t15-,18+,19-/m0/s1
InChIKeyVHQHEQNRFPSJPC-IPELMVKDSA-N
XLogP3.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide 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

2-[(2-methylcyclopropyl)amino]-N-phenylpropanamide
CID 62397765
2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide
CID 103902064
2-(2,3-dihydro-1H-inden-2-ylamino)-N-phenylpropanamide
CID 103830707
2-[(3-methylcyclopentyl)amino]-N-phenylpropanamide
CID 115889728
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea
CID 99828968
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
N-phenyl-2-(piperidin-1-ylamino)propanamide
CID 83014289
3-N,3-N-dimethyl-1-N-(1-methyl-2-phenylpyrrolidin-3-yl)pyrrolidine-1,3-dicarboxamide
CID 128728484
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide
CID 79870022
1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea
CID 119034887

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide (CID 124863962) is (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide is C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide?
The InChIKey is VHQHEQNRFPSJPC-IPELMVKDSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(20(24)22-17-11-7-4-8-12-17)21-18-13-14-23(2)19(18)16-9-5-3-6-10-16/h3-12,15,18-19,21H,13-14H2,1-2H3,(H,22,24)/t15-,18+,19-/m0/s1.
What are the key properties of (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide?
(2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide has a molecular weight of 323.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide is sourced from PubChem (CID 124863962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).