2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide

C24H18N2O4 — CID 90578185

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C24H18N2O4/c27-22(16-26-23(28)19-11-3-4-12-20(19)24(26)29)25-14-5-6-15-30-21-13-7-9-17-8-1-2-10-18(17)21/h1-4,7-13H,14-16H2,(H,25,27)
InChIKeyLOJUJWXFUOFEHC-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.63
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide (PubChem CID 90578185) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
PubChem CID90578185
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C24H18N2O4/c27-22(16-26-23(28)19-11-3-4-12-20(19)24(26)29)25-14-5-6-15-30-21-13-7-9-17-8-1-2-10-18(17)21/h1-4,7-13H,14-16H2,(H,25,27)
InChIKeyLOJUJWXFUOFEHC-UHFFFAOYSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578226
N-[4-(3-acetamidophenoxy)but-2-ynyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 90577383
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578113
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
CID 90497331

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide (CID 90578185) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCC#CCOc1cccc2ccccc12.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The InChIKey is LOJUJWXFUOFEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c27-22(16-26-23(28)19-11-3-4-12-20(19)24(26)29)25-14-5-6-15-30-21-13-7-9-17-8-1-2-10-18(17)21/h1-4,7-13H,14-16H2,(H,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide has a molecular weight of 398.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide is sourced from PubChem (CID 90578185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).