2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide

C20H25N3O3 — CID 120760615

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H25N3O3/c1-25-15-8-9-19(26-2)18(10-15)22-20(24)13-23-11-16(17(21)12-23)14-6-4-3-5-7-14/h3-10,16-17H,11-13,21H2,1-2H3,(H,22,24)/t16-,17+/m0/s1
InChIKeyBGXGLYLREPQAIN-DLBZAZTESA-N
MW355.44 g/mol
LogP2.07
Rot. Bonds6

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 120760615) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID120760615
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H25N3O3/c1-25-15-8-9-19(26-2)18(10-15)22-20(24)13-23-11-16(17(21)12-23)14-6-4-3-5-7-14/h3-10,16-17H,11-13,21H2,1-2H3,(H,22,24)/t16-,17+/m0/s1
InChIKeyBGXGLYLREPQAIN-DLBZAZTESA-N
XLogP2.07
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 120760515
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 120761345
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 120761521
N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
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-methylphenyl)acetamide
CID 120761401
(3S,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770144
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide;hydrochloride
CID 120760336
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 120759601
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 120761426

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide (CID 120760615) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is BGXGLYLREPQAIN-DLBZAZTESA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-15-8-9-19(26-2)18(10-15)22-20(24)13-23-11-16(17(21)12-23)14-6-4-3-5-7-14/h3-10,16-17H,11-13,21H2,1-2H3,(H,22,24)/t16-,17+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 120760615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).