2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide

C28H27N3O5 — CID 58919564

IUPAC2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccccc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H27N3O5/c1-2-36-24-16-8-7-15-23(24)30-26(33)21-13-5-6-14-22(21)29-25(32)17-9-10-18-31-27(34)19-11-3-4-12-20(19)28(31)35/h3-8,11-16H,2,9-10,17-18H2,1H3,(H,29,32)(H,30,33)
InChIKeyZOFHHOQYOUANQU-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.74
Rot. Bonds10

About 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide

2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide (PubChem CID 58919564) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide
PubChem CID58919564
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccccc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H27N3O5/c1-2-36-24-16-8-7-15-23(24)30-26(33)21-13-5-6-14-22(21)29-25(32)17-9-10-18-31-27(34)19-11-3-4-12-20(19)28(31)35/h3-8,11-16H,2,9-10,17-18H2,1H3,(H,29,32)(H,30,33)
InChIKeyZOFHHOQYOUANQU-UHFFFAOYSA-N
XLogP4.74
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 8503422
N-(2-ethoxyphenyl)octanamide
CID 4158866
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 2883170
3-[(5E)-5-[3-[3-(2-ethoxyanilino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-ethoxyphenyl)propanamide
CID 6201296
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
6-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-1H-pyridin-3-yl)hexanamide
CID 4018238
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 4844189
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 893347

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide (CID 58919564) is 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1ccccc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide?
The InChIKey is ZOFHHOQYOUANQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-2-36-24-16-8-7-15-23(24)30-26(33)21-13-5-6-14-22(21)29-25(32)17-9-10-18-31-27(34)19-11-3-4-12-20(19)28(31)35/h3-8,11-16H,2,9-10,17-18H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide?
2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide has a molecular weight of 485.54 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 58919564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).