3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride

C16H27Cl2N3O — CID 119952665

IUPAC3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCCN1CCCC1CNC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-2-19-10-6-9-14(19)12-18-16(20)11-15(17)13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20);2*1H
InChIKeyCLJLWXCDUSEDQJ-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.52
Rot. Bonds6

About 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride

3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119952665) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119952665
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCCN1CCCC1CNC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-2-19-10-6-9-14(19)12-18-16(20)11-15(17)13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20);2*1H
InChIKeyCLJLWXCDUSEDQJ-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride (CID 119952665) is 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride is CCN1CCCC1CNC(=O)CC(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is CLJLWXCDUSEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-2-19-10-6-9-14(19)12-18-16(20)11-15(17)13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119952665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).