N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide

C24H29N3O2 — CID 95592054

IUPACN-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CC[C@@H](c2ccccc2)C1)NCc1ccccc1CN1CCCC1=O
InChIInChI=1S/C24H29N3O2/c28-23(18-26-14-12-22(16-26)19-7-2-1-3-8-19)25-15-20-9-4-5-10-21(20)17-27-13-6-11-24(27)29/h1-5,7-10,22H,6,11-18H2,(H,25,28)/t22-/m1/s1
InChIKeyUZLSYSCPTSUUAQ-JOCHJYFZSA-N
MW391.52 g/mol
LogP2.91
Rot. Bonds7

About N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide

N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide (PubChem CID 95592054) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
PubChem CID95592054
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CC[C@@H](c2ccccc2)C1)NCc1ccccc1CN1CCCC1=O
InChIInChI=1S/C24H29N3O2/c28-23(18-26-14-12-22(16-26)19-7-2-1-3-8-19)25-15-20-9-4-5-10-21(20)17-27-13-6-11-24(27)29/h1-5,7-10,22H,6,11-18H2,(H,25,28)/t22-/m1/s1
InChIKeyUZLSYSCPTSUUAQ-JOCHJYFZSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-ethyl-N'-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723344
2-[(3R)-3-phenylpyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95317472
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
(2S)-2-cyclohexyl-3-oxo-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]propanoic acid
CID 125168722
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605
2-(oxan-3-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 118792118
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
CID 119716995
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide (CID 95592054) is N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide is O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1ccccc1CN1CCCC1=O.
What is the InChIKey of N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is UZLSYSCPTSUUAQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(18-26-14-12-22(16-26)19-7-2-1-3-8-19)25-15-20-9-4-5-10-21(20)17-27-13-6-11-24(27)29/h1-5,7-10,22H,6,11-18H2,(H,25,28)/t22-/m1/s1.
What are the key properties of N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide?
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95592054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).