N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide

C17H22N2O3 — CID 99984757

IUPACN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide
SMILESCC(C)(C)N1C[C@H](CNC(=O)C(=O)c2ccccc2)CC1=O
InChIInChI=1S/C17H22N2O3/c1-17(2,3)19-11-12(9-14(19)20)10-18-16(22)15(21)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,18,22)/t12-/m0/s1
InChIKeyFASDXGUYFNCWRZ-LBPRGKRZSA-N
MW302.37 g/mol
LogP1.63
Rot. Bonds4

About N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide

N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide (PubChem CID 99984757) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide
PubChem CID99984757
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide
SMILESCC(C)(C)N1C[C@H](CNC(=O)C(=O)c2ccccc2)CC1=O
InChIInChI=1S/C17H22N2O3/c1-17(2,3)19-11-12(9-14(19)20)10-18-16(22)15(21)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,18,22)/t12-/m0/s1
InChIKeyFASDXGUYFNCWRZ-LBPRGKRZSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide?
The IUPAC name of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide (CID 99984757) is N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide?
The canonical SMILES for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide is CC(C)(C)N1C[C@H](CNC(=O)C(=O)c2ccccc2)CC1=O.
What is the InChIKey of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide?
The InChIKey is FASDXGUYFNCWRZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2,3)19-11-12(9-14(19)20)10-18-16(22)15(21)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,18,22)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide?
N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide has a molecular weight of 302.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide is sourced from PubChem (CID 99984757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).