N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide

C27H26N2O4 — CID 2116543

IUPACN-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC
InChIInChI=1S/C27H26N2O4/c1-4-18-9-8-10-19(5-2)24(18)28-25(30)22-15-17(13-14-23(22)33-3)16-29-26(31)20-11-6-7-12-21(20)27(29)32/h6-15H,4-5,16H2,1-3H3,(H,28,30)
InChIKeyXDEODLUUNMJEIT-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.87
Rot. Bonds7

About N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide

N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (PubChem CID 2116543) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
PubChem CID2116543
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC
InChIInChI=1S/C27H26N2O4/c1-4-18-9-8-10-19(5-2)24(18)28-25(30)22-15-17(13-14-23(22)33-3)16-29-26(31)20-11-6-7-12-21(20)27(29)32/h6-15H,4-5,16H2,1-3H3,(H,28,30)
InChIKeyXDEODLUUNMJEIT-UHFFFAOYSA-N
XLogP4.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (CID 2116543) is N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is CCc1cccc(CC)c1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC.
What is the InChIKey of N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is XDEODLUUNMJEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-4-18-9-8-10-19(5-2)24(18)28-25(30)22-15-17(13-14-23(22)33-3)16-29-26(31)20-11-6-7-12-21(20)27(29)32/h6-15H,4-5,16H2,1-3H3,(H,28,30).
What are the key properties of N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 442.52 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 2116543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).