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

C26H22N2O4 — CID 90578226

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C26H22N2O4/c29-24(15-8-17-28-25(30)21-12-3-4-13-22(21)26(28)31)27-16-5-6-18-32-23-14-7-10-19-9-1-2-11-20(19)23/h1-4,7,9-14H,8,15-18H2,(H,27,29)
InChIKeyZDSMLYUWDWNJBP-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.41
Rot. Bonds7

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

4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide (PubChem CID 90578226) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
PubChem CID90578226
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C26H22N2O4/c29-24(15-8-17-28-25(30)21-12-3-4-13-22(21)26(28)31)27-16-5-6-18-32-23-14-7-10-19-9-1-2-11-20(19)23/h1-4,7,9-14H,8,15-18H2,(H,27,29)
InChIKeyZDSMLYUWDWNJBP-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.41
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

2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578185
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578113
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
N-[(3-acetamidophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46477960
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
methyl 4-[[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]methyl]benzoate
CID 4810758

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide (CID 90578226) is 4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCC#CCOc1cccc2ccccc12.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide?
The InChIKey is ZDSMLYUWDWNJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c29-24(15-8-17-28-25(30)21-12-3-4-13-22(21)26(28)31)27-16-5-6-18-32-23-14-7-10-19-9-1-2-11-20(19)23/h1-4,7,9-14H,8,15-18H2,(H,27,29).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide has a molecular weight of 426.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide is sourced from PubChem (CID 90578226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).