2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide

C28H44N2O3 — CID 177420701

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-29-26(31)23-30-27(32)24-20-17-18-21-25(24)28(30)33/h17-18,20-21H,2-16,19,22-23H2,1H3,(H,29,31)
InChIKeyLAEZGYHIMZCHAC-UHFFFAOYSA-N
MW456.67 g/mol
LogP6.66
Rot. Bonds19

About 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide

2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide (PubChem CID 177420701) has the molecular formula C28H44N2O3 and a molecular weight of 456.67 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
PubChem CID177420701
Molecular FormulaC28H44N2O3
Molecular Weight456.67 g/mol
Exact Mass456.34
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-29-26(31)23-30-27(32)24-20-17-18-21-25(24)28(30)33/h17-18,20-21H,2-16,19,22-23H2,1H3,(H,29,31)
InChIKeyLAEZGYHIMZCHAC-UHFFFAOYSA-N
XLogP6.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 56.66
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'}

Analyze 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide 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

2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 10469585
[2-(hexylamino)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 8578219
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
1-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111827954
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
CID 9017553
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-propylacetamide
CID 113201263
2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
CID 26776950

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide (CID 177420701) is 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide is CCCCCCCCCCCCCCCCCCNC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide?
The InChIKey is LAEZGYHIMZCHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-29-26(31)23-30-27(32)24-20-17-18-21-25(24)28(30)33/h17-18,20-21H,2-16,19,22-23H2,1H3,(H,29,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide?
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide has a molecular weight of 456.67 g/mol, XLogP of 6.66, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide is sourced from PubChem (CID 177420701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).