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

C23H29N3O — CID 120762269

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)C2CC2)cc1
InChIInChI=1S/C23H29N3O/c1-17-7-9-18(10-8-17)13-26(20-11-12-20)23(27)16-25-14-21(22(24)15-25)19-5-3-2-4-6-19/h2-10,20-22H,11-16,24H2,1H3/t21-,22+/m0/s1
InChIKeySMTSHZHTTMCOSH-FCHUYYIVSA-N
MW363.50 g/mol
LogP2.91
Rot. Bonds6

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

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 120762269) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID120762269
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)C2CC2)cc1
InChIInChI=1S/C23H29N3O/c1-17-7-9-18(10-8-17)13-26(20-11-12-20)23(27)16-25-14-21(22(24)15-25)19-5-3-2-4-6-19/h2-10,20-22H,11-16,24H2,1H3/t21-,22+/m0/s1
InChIKeySMTSHZHTTMCOSH-FCHUYYIVSA-N
XLogP2.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 120762268
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
(3S,4S)-1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120849
1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121388
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 120762003
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120761400
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
CID 120760966
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 120761700
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 119906027
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 120762151
N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 32590164
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119906026

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide (CID 120762269) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)C2CC2)cc1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is SMTSHZHTTMCOSH-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17-7-9-18(10-8-17)13-26(20-11-12-20)23(27)16-25-14-21(22(24)15-25)19-5-3-2-4-6-19/h2-10,20-22H,11-16,24H2,1H3/t21-,22+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 363.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 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-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 120762269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).