3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

C21H27N3O — CID 119831385

IUPAC3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESNCC(C(=O)NCC(c1ccccc1)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H27N3O/c22-15-19(17-9-3-1-4-10-17)21(25)23-16-20(24-13-7-8-14-24)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16,22H2,(H,23,25)
InChIKeyIESOFDUKVGRQLE-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.68
Rot. Bonds7

About 3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 119831385) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID119831385
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESNCC(C(=O)NCC(c1ccccc1)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H27N3O/c22-15-19(17-9-3-1-4-10-17)21(25)23-16-20(24-13-7-8-14-24)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16,22H2,(H,23,25)
InChIKeyIESOFDUKVGRQLE-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpropanamide
CID 115738074
2-(dimethylamino)-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 47839657
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 81071617
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
3-amino-N-(2-cyclopropylpropyl)-2-phenylpropanamide
CID 115738526
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 51930461
3-(4-fluorophenyl)-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110302461

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (CID 119831385) is 3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is NCC(C(=O)NCC(c1ccccc1)N1CCCC1)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is IESOFDUKVGRQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c22-15-19(17-9-3-1-4-10-17)21(25)23-16-20(24-13-7-8-14-24)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16,22H2,(H,23,25).
What are the key properties of 3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 119831385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).