N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide

C15H20N2O2 — CID 4229478

IUPACN-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCC(C)NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H20N2O2/c1-3-11(2)16-15(19)12-6-4-7-13(10-12)17-9-5-8-14(17)18/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,16,19)
InChIKeyPFEFSWFWNPNHFB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.34
Rot. Bonds4

About N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide

N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 4229478) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID4229478
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCC(C)NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H20N2O2/c1-3-11(2)16-15(19)12-6-4-7-13(10-12)17-9-5-8-14(17)18/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,16,19)
InChIKeyPFEFSWFWNPNHFB-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 4229478) is N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide is CCC(C)NC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is PFEFSWFWNPNHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-11(2)16-15(19)12-6-4-7-13(10-12)17-9-5-8-14(17)18/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide?
N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 260.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 4229478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).