2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide

C24H27N3O — CID 120760649

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C24H27N3O/c1-17(20-12-11-18-7-5-6-10-21(18)13-20)26-24(28)16-27-14-22(23(25)15-27)19-8-3-2-4-9-19/h2-13,17,22-23H,14-16,25H2,1H3,(H,26,28)/t17?,22-,23+/m0/s1
InChIKeyZWHCFBCRLGYYCU-VBMOORDVSA-N
MW373.50 g/mol
LogP3.44
Rot. Bonds5

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 120760649) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
PubChem CID120760649
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C24H27N3O/c1-17(20-12-11-18-7-5-6-10-21(18)13-20)26-24(28)16-27-14-22(23(25)15-27)19-8-3-2-4-9-19/h2-13,17,22-23H,14-16,25H2,1H3,(H,26,28)/t17?,22-,23+/m0/s1
InChIKeyZWHCFBCRLGYYCU-VBMOORDVSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide 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

(3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 122120938
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 120761267
2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120761171
2-[(2R)-2-methylmorpholin-4-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 98449703
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
2-[4,7-bis[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 100946770
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 120760845
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 120762151
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 120759230
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 120759119

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide (CID 120760649) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide is CC(NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide?
The InChIKey is ZWHCFBCRLGYYCU-VBMOORDVSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17(20-12-11-18-7-5-6-10-21(18)13-20)26-24(28)16-27-14-22(23(25)15-27)19-8-3-2-4-9-19/h2-13,17,22-23H,14-16,25H2,1H3,(H,26,28)/t17?,22-,23+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 120760649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).