5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide

C27H26N2O5 — CID 29217634

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C27H26N2O5/c1-4-34-24-13-12-19(17-29-26(31)21-10-5-6-11-22(21)27(29)32)15-23(24)25(30)28(2)16-18-8-7-9-20(14-18)33-3/h5-15H,4,16-17H2,1-3H3
InChIKeyKLJCKFTUZQREEF-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.16
Rot. Bonds8

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 29217634) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID29217634
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C27H26N2O5/c1-4-34-24-13-12-19(17-29-26(31)21-10-5-6-11-22(21)27(29)32)15-23(24)25(30)28(2)16-18-8-7-9-20(14-18)33-3/h5-15H,4,16-17H2,1-3H3
InChIKeyKLJCKFTUZQREEF-UHFFFAOYSA-N
XLogP4.16
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (CID 29217634) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is KLJCKFTUZQREEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-4-34-24-13-12-19(17-29-26(31)21-10-5-6-11-22(21)27(29)32)15-23(24)25(30)28(2)16-18-8-7-9-20(14-18)33-3/h5-15H,4,16-17H2,1-3H3.
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 458.51 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 29217634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).