2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C24H33N3O — CID 120761267

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C24H33N3O/c1-16(2)19-11-8-12-20(17(3)4)24(19)26-23(28)15-27-13-21(22(25)14-27)18-9-6-5-7-10-18/h5-12,16-17,21-22H,13-15,25H2,1-4H3,(H,26,28)/t21-,22+/m0/s1
InChIKeyBYUHGFRNYXVKTK-FCHUYYIVSA-N
MW379.55 g/mol
LogP4.30
Rot. Bonds6

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 120761267) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID120761267
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C24H33N3O/c1-16(2)19-11-8-12-20(17(3)4)24(19)26-23(28)15-27-13-21(22(25)14-27)18-9-6-5-7-10-18/h5-12,16-17,21-22H,13-15,25H2,1-4H3,(H,26,28)/t21-,22+/m0/s1
InChIKeyBYUHGFRNYXVKTK-FCHUYYIVSA-N
XLogP4.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]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-(4-methylphenyl)acetamide
CID 120761401
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120761400
2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120761171
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 120760649
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 120761700
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 120761039
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-bromophenyl)acetamide;hydrochloride
CID 120760737
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-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
CID 120762117
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 120760551
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 120760035
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 120761267) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is BYUHGFRNYXVKTK-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H33N3O/c1-16(2)19-11-8-12-20(17(3)4)24(19)26-23(28)15-27-13-21(22(25)14-27)18-9-6-5-7-10-18/h5-12,16-17,21-22H,13-15,25H2,1-4H3,(H,26,28)/t21-,22+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 379.55 g/mol, XLogP of 4.30, 6 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-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 120761267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).