4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

C16H22N2O2 — CID 110732273

IUPAC4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC2CCC(=O)N2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)12-6-4-11(5-7-12)15(20)17-10-13-8-9-14(19)18-13/h4-7,13H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWNOXNYYPUJXKKO-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.99
Rot. Bonds3

About 4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (PubChem CID 110732273) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
PubChem CID110732273
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC2CCC(=O)N2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)12-6-4-11(5-7-12)15(20)17-10-13-8-9-14(19)18-13/h4-7,13H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWNOXNYYPUJXKKO-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 91792844
4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide
CID 95869015
4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103873189
4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide
CID 107529194
2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide
CID 80556153
3,5-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103908657
3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103827007
2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 80711647
(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide
CID 103930019
2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 113345292
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 95324326
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (CID 110732273) is 4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC2CCC(=O)N2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The InChIKey is WNOXNYYPUJXKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)12-6-4-11(5-7-12)15(20)17-10-13-8-9-14(19)18-13/h4-7,13H,8-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide has a molecular weight of 274.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 110732273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).