2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide

C21H25N3O2 — CID 119285797

IUPAC2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1=O
InChIInChI=1S/C21H25N3O2/c22-19(13-16-7-2-1-3-8-16)21(26)23-14-17-9-4-5-10-18(17)15-24-12-6-11-20(24)25/h1-5,7-10,19H,6,11-15,22H2,(H,23,26)
InChIKeyHHKUYVGZTITXIE-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.00
Rot. Bonds7

About 2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide

2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide (PubChem CID 119285797) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
PubChem CID119285797
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1=O
InChIInChI=1S/C21H25N3O2/c22-19(13-16-7-2-1-3-8-16)21(26)23-14-17-9-4-5-10-18(17)15-24-12-6-11-20(24)25/h1-5,7-10,19H,6,11-15,22H2,(H,23,26)
InChIKeyHHKUYVGZTITXIE-UHFFFAOYSA-N
XLogP2.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
CID 119716995
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119298734
1-benzyl-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110952355
(2S)-2-cyclohexyl-3-oxo-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]propanoic acid
CID 125168722
1-[[2-[(benzylsulfamoylamino)methyl]phenyl]methyl]pyrrolidin-2-one
CID 56903516
1-benzyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46765739
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974895
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94021481
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide (CID 119285797) is 2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1=O.
What is the InChIKey of 2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide?
The InChIKey is HHKUYVGZTITXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-19(13-16-7-2-1-3-8-16)21(26)23-14-17-9-4-5-10-18(17)15-24-12-6-11-20(24)25/h1-5,7-10,19H,6,11-15,22H2,(H,23,26).
What are the key properties of 2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide?
2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 119285797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).