2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide

C21H27N3O — CID 120761633

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)C(C)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H27N3O/c1-15-8-6-7-11-18(15)12-23-21(25)16(2)24-13-19(20(22)14-24)17-9-4-3-5-10-17/h3-11,16,19-20H,12-14,22H2,1-2H3,(H,23,25)/t16?,19-,20+/m0/s1
InChIKeyCMHCJVBRUMKSPS-KHMGXFTDSA-N
MW337.47 g/mol
LogP2.43
Rot. Bonds5

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 120761633) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID120761633
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)C(C)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H27N3O/c1-15-8-6-7-11-18(15)12-23-21(25)16(2)24-13-19(20(22)14-24)17-9-4-3-5-10-17/h3-11,16,19-20H,12-14,22H2,1-2H3,(H,23,25)/t16?,19-,20+/m0/s1
InChIKeyCMHCJVBRUMKSPS-KHMGXFTDSA-N
XLogP2.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide 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-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-phenylethyl)propanamide;hydrochloride
CID 120760797
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-prop-2-enylpropanamide;hydrochloride
CID 120761740
1-[1-[(2-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907889
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 120760922
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide
CID 114263437
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N,N-diethylpropanamide
CID 120760495
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)propanamide
CID 120761631
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclohexylcarbamoyl)propanamide;hydrochloride
CID 120760402
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 120760203
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 120762021
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 120761100
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide;hydrochloride
CID 120761002

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide (CID 120761633) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)C(C)N1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is CMHCJVBRUMKSPS-KHMGXFTDSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15-8-6-7-11-18(15)12-23-21(25)16(2)24-13-19(20(22)14-24)17-9-4-3-5-10-17/h3-11,16,19-20H,12-14,22H2,1-2H3,(H,23,25)/t16?,19-,20+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.43, 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-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 120761633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).