3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide

C19H26N2O3 — CID 125135751

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H26N2O3/c1-2-3-4-5-6-7-13-20-19(24)15-9-8-10-16(14-15)21-17(22)11-12-18(21)23/h8-10,14H,2-7,11-13H2,1H3,(H,20,24)
InChIKeySDPRHRFXRPNBMB-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.43
Rot. Bonds9

About 3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide (PubChem CID 125135751) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide
PubChem CID125135751
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H26N2O3/c1-2-3-4-5-6-7-13-20-19(24)15-9-8-10-16(14-15)21-17(22)11-12-18(21)23/h8-10,14H,2-7,11-13H2,1H3,(H,20,24)
InChIKeySDPRHRFXRPNBMB-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-pentylbenzamide
CID 21007460
3-hydroxy-N-octylbenzamide
CID 115568584
3-bromo-N-dodecylbenzamide
CID 603918
3-fluoro-N-octadecylbenzamide
CID 91711883
N-decyl-3-sulfanylbenzamide
CID 107032454
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 7772353
3-methoxy-N-tridecylbenzamide
CID 139819898
3-carbamothioyl-N-octylbenzamide
CID 115568179
N-heptyl-3-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)benzamide
CID 3312592
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-octadecylnaphthalene-2-carboxamide
CID 20549010

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide (CID 125135751) is 3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide is CCCCCCCCNC(=O)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide?
The InChIKey is SDPRHRFXRPNBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-3-4-5-6-7-13-20-19(24)15-9-8-10-16(14-15)21-17(22)11-12-18(21)23/h8-10,14H,2-7,11-13H2,1H3,(H,20,24).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide is sourced from PubChem (CID 125135751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).