2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride

C20H27Cl2N3O — CID 119831669

IUPAC2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O.2ClH/c21-19(13-16-7-3-1-4-8-16)20(24)22-18-11-12-23(15-18)14-17-9-5-2-6-10-17;;/h1-10,18-19H,11-15,21H2,(H,22,24);2*1H
InChIKeyNRBQCCYXKIVZQP-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.79
Rot. Bonds6

About 2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride

2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride (PubChem CID 119831669) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
PubChem CID119831669
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O.2ClH/c21-19(13-16-7-3-1-4-8-16)20(24)22-18-11-12-23(15-18)14-17-9-5-2-6-10-17;;/h1-10,18-19H,11-15,21H2,(H,22,24);2*1H
InChIKeyNRBQCCYXKIVZQP-UHFFFAOYSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119831710
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-3-(4-phenylmethoxyphenyl)propanamide
CID 54424840
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride (CID 119831669) is 2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride is Cl.Cl.NC(Cc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride?
The InChIKey is NRBQCCYXKIVZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c21-19(13-16-7-3-1-4-8-16)20(24)22-18-11-12-23(15-18)14-17-9-5-2-6-10-17;;/h1-10,18-19H,11-15,21H2,(H,22,24);2*1H.
What are the key properties of 2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride?
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119831669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).