2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide

C21H25N3O2 — CID 120760377

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
SMILESN[C@@H]1CN(CC(=O)NCC2Cc3ccccc3O2)C[C@H]1c1ccccc1
InChIInChI=1S/C21H25N3O2/c22-19-13-24(12-18(19)15-6-2-1-3-7-15)14-21(25)23-11-17-10-16-8-4-5-9-20(16)26-17/h1-9,17-19H,10-14,22H2,(H,23,25)/t17?,18-,19+/m0/s1
InChIKeyFSVKKDXPBMZQTJ-JLMCIHFGSA-N
MW351.45 g/mol
LogP1.53
Rot. Bonds5

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide (PubChem CID 120760377) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
PubChem CID120760377
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
SMILESN[C@@H]1CN(CC(=O)NCC2Cc3ccccc3O2)C[C@H]1c1ccccc1
InChIInChI=1S/C21H25N3O2/c22-19-13-24(12-18(19)15-6-2-1-3-7-15)14-21(25)23-11-17-10-16-8-4-5-9-20(16)26-17/h1-9,17-19H,10-14,22H2,(H,23,25)/t17?,18-,19+/m0/s1
InChIKeyFSVKKDXPBMZQTJ-JLMCIHFGSA-N
XLogP1.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 87012320
(3S,4S)-1-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120953759
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
(2R)-1-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703360
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 35676181
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide;hydrochloride
CID 120760372
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 120762151
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 120761179
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide (CID 120760377) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide is N[C@@H]1CN(CC(=O)NCC2Cc3ccccc3O2)C[C@H]1c1ccccc1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide?
The InChIKey is FSVKKDXPBMZQTJ-JLMCIHFGSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-19-13-24(12-18(19)15-6-2-1-3-7-15)14-21(25)23-11-17-10-16-8-4-5-9-20(16)26-17/h1-9,17-19H,10-14,22H2,(H,23,25)/t17?,18-,19+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide is sourced from PubChem (CID 120760377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).