4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide

C16H22N2O3 — CID 110416590

IUPAC4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-12(2)21-11-9-17-16(20)13-5-7-14(8-6-13)18-10-3-4-15(18)19/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyOJPPWGOXRMNRNA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.97
Rot. Bonds6

About 4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide

4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 110416590) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID110416590
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-12(2)21-11-9-17-16(20)13-5-7-14(8-6-13)18-10-3-4-15(18)19/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyOJPPWGOXRMNRNA-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174
N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111480504
4-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3571977
4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid
CID 119252803
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 9385017
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide (CID 110416590) is 4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is OJPPWGOXRMNRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)21-11-9-17-16(20)13-5-7-14(8-6-13)18-10-3-4-15(18)19/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide?
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 110416590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).