4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide

C14H18N2O2 — CID 6621975

IUPAC4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-10(2)15-14(18)11-5-7-12(8-6-11)16-9-3-4-13(16)17/h5-8,10H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyMGAYWQXGUUCLBP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.95
Rot. Bonds3

About 4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide

4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide (PubChem CID 6621975) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
PubChem CID6621975
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-10(2)15-14(18)11-5-7-12(8-6-11)16-9-3-4-13(16)17/h5-8,10H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyMGAYWQXGUUCLBP-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8751476
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8545315
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8778699
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 52509087
N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 134044850

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide (CID 6621975) is 4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide?
The InChIKey is MGAYWQXGUUCLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)15-14(18)11-5-7-12(8-6-11)16-9-3-4-13(16)17/h5-8,10H,3-4,9H2,1-2H3,(H,15,18).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide?
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide has a molecular weight of 246.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 6621975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).