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

C16H25N3O — CID 24706556

IUPAC3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
SMILESCCN1CCCC1CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H25N3O/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)
InChIKeyJVVNXANLAXSCDN-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.68
Rot. Bonds6

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

3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 24706556) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
PubChem CID24706556
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
SMILESCCN1CCCC1CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H25N3O/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)
InChIKeyJVVNXANLAXSCDN-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-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

3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665
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-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
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
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111043621

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide (CID 24706556) is 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide is CCN1CCCC1CNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is JVVNXANLAXSCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/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).
What are the key properties of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 1.68, 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 is sourced from PubChem (CID 24706556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).