N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide

C16H20N2O3 — CID 19736343

IUPACN-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H20N2O3/c1-3-5-6-10(4-2)14(19)17-11-7-8-12-13(9-11)16(21)18-15(12)20/h7-10H,3-6H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyCBGCYBGTBOIQJB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.73
Rot. Bonds6

About N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide

N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide (PubChem CID 19736343) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide
PubChem CID19736343
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H20N2O3/c1-3-5-6-10(4-2)14(19)17-11-7-8-12-13(9-11)16(21)18-15(12)20/h7-10H,3-6H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyCBGCYBGTBOIQJB-UHFFFAOYSA-N
XLogP2.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide
CID 61174389
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide
CID 90689166
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
2-ethyl-N-(3-formylphenyl)hexanamide
CID 54554247
2-ethyl-N-[3-(2-ethylhexanoylamino)-4-nitrophenyl]hexanamide
CID 2931731
3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide
CID 81072000
2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide
CID 17297257
(2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide
CID 9349577

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide (CID 19736343) is N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide?
The InChIKey is CBGCYBGTBOIQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-5-6-10(4-2)14(19)17-11-7-8-12-13(9-11)16(21)18-15(12)20/h7-10H,3-6H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide?
N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide has a molecular weight of 288.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide is sourced from PubChem (CID 19736343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).