4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide

C17H22N2O3 — CID 51195030

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-12(2)9-10-18-17(22)14-5-3-13(4-6-14)11-19-15(20)7-8-16(19)21/h3-6,12H,7-11H2,1-2H3,(H,18,22)
InChIKeyXQHTZFNEXODERV-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.11
Rot. Bonds6

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide (PubChem CID 51195030) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
PubChem CID51195030
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-12(2)9-10-18-17(22)14-5-3-13(4-6-14)11-19-15(20)7-8-16(19)21/h3-6,12H,7-11H2,1-2H3,(H,18,22)
InChIKeyXQHTZFNEXODERV-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(methylamino)propyl]benzamide
CID 119431505
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 71890893
N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27682911
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 53049943
2-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119188265
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 26008402
(2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate
CID 129016839
N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119641489
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 30895093
N-(3-methylbutyl)-4-[(1,1,4-trihydroxy-1,2,5-thiadiazolidin-2-yl)methyl]benzamide
CID 174472078
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55596850
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 53135581

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide (CID 51195030) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide?
The InChIKey is XQHTZFNEXODERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(2)9-10-18-17(22)14-5-3-13(4-6-14)11-19-15(20)7-8-16(19)21/h3-6,12H,7-11H2,1-2H3,(H,18,22).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide has a molecular weight of 302.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 51195030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).