4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C18H26N2O2 — CID 9262304

IUPAC4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)15-8-6-14(7-9-15)17(22)19-11-10-16(21)20-12-4-5-13-20/h6-9H,4-5,10-13H2,1-3H3,(H,19,22)
InChIKeyPBCCMXWCTAFHME-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.73
Rot. Bonds4

About 4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 9262304) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID9262304
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)15-8-6-14(7-9-15)17(22)19-11-10-16(21)20-12-4-5-13-20/h6-9H,4-5,10-13H2,1-3H3,(H,19,22)
InChIKeyPBCCMXWCTAFHME-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 9262304) is 4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is PBCCMXWCTAFHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)15-8-6-14(7-9-15)17(22)19-11-10-16(21)20-12-4-5-13-20/h6-9H,4-5,10-13H2,1-3H3,(H,19,22).
What are the key properties of 4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 302.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 9262304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).