N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide

C26H32N2O4 — CID 3419437

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide
SMILESCCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1OC
InChIInChI=1S/C26H32N2O4/c1-3-4-5-6-7-8-9-18-24(29)27(22-16-12-13-17-23(22)32-2)19-28-25(30)20-14-10-11-15-21(20)26(28)31/h10-17H,3-9,18-19H2,1-2H3
InChIKeyFYDAQJBKGXKXRP-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.42
Rot. Bonds12

About N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide

N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide (PubChem CID 3419437) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide
PubChem CID3419437
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide
SMILESCCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1OC
InChIInChI=1S/C26H32N2O4/c1-3-4-5-6-7-8-9-18-24(29)27(22-16-12-13-17-23(22)32-2)19-28-25(30)20-14-10-11-15-21(20)26(28)31/h10-17H,3-9,18-19H2,1-2H3
InChIKeyFYDAQJBKGXKXRP-UHFFFAOYSA-N
XLogP5.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.42
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide (CID 3419437) is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide is CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1OC.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide?
The InChIKey is FYDAQJBKGXKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-4-5-6-7-8-9-18-24(29)27(22-16-12-13-17-23(22)32-2)19-28-25(30)20-14-10-11-15-21(20)26(28)31/h10-17H,3-9,18-19H2,1-2H3.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide has a molecular weight of 436.55 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide is sourced from PubChem (CID 3419437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).