6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide

C25H24N2O4 — CID 4090192

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide
SMILESCOc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c2ccccc12
InChIInChI=1S/C25H24N2O4/c1-31-22-15-14-21(17-9-4-5-10-18(17)22)26-23(28)13-3-2-8-16-27-24(29)19-11-6-7-12-20(19)25(27)30/h4-7,9-12,14-15H,2-3,8,13,16H2,1H3,(H,26,28)
InChIKeyXDRNLMAIRKPCSJ-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.64
Rot. Bonds8

About 6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide (PubChem CID 4090192) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide
PubChem CID4090192
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide
SMILESCOc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c2ccccc12
InChIInChI=1S/C25H24N2O4/c1-31-22-15-14-21(17-9-4-5-10-18(17)22)26-23(28)13-3-2-8-16-27-24(29)19-11-6-7-12-20(19)25(27)30/h4-7,9-12,14-15H,2-3,8,13,16H2,1H3,(H,26,28)
InChIKeyXDRNLMAIRKPCSJ-UHFFFAOYSA-N
XLogP4.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide
CID 8700318
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
6-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-1H-pyridin-3-yl)hexanamide
CID 4018238
4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 8503422
methyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]thiophene-2-carboxylate
CID 17426187
3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide
CID 39849507
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
CID 19405045
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide (CID 4090192) is 6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide is COc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c2ccccc12.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide?
The InChIKey is XDRNLMAIRKPCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-31-22-15-14-21(17-9-4-5-10-18(17)22)26-23(28)13-3-2-8-16-27-24(29)19-11-6-7-12-20(19)25(27)30/h4-7,9-12,14-15H,2-3,8,13,16H2,1H3,(H,26,28).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide has a molecular weight of 416.48 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide is sourced from PubChem (CID 4090192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).