5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide

C22H23N3O5 — CID 9224613

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC
InChIInChI=1S/C22H23N3O5/c1-3-23-19(26)12-24-20(27)17-11-14(9-10-18(17)30-4-2)13-25-21(28)15-7-5-6-8-16(15)22(25)29/h5-11H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWZPAVKFQWCMSBJ-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.75
Rot. Bonds8

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide (PubChem CID 9224613) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide
PubChem CID9224613
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC
InChIInChI=1S/C22H23N3O5/c1-3-23-19(26)12-24-20(27)17-11-14(9-10-18(17)30-4-2)13-25-21(28)15-7-5-6-8-16(15)22(25)29/h5-11H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWZPAVKFQWCMSBJ-UHFFFAOYSA-N
XLogP1.75
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide
CID 26253288
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 27770108
N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
CID 7927858
N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
CID 2533311
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
CID 55341064
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39513518
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 71850059
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 60621841
[2-(3-methylbutylamino)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 2691586
(1-methoxy-1-oxopropan-2-yl) 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 16569725
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide (CID 9224613) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide is CCNC(=O)CNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The InChIKey is WZPAVKFQWCMSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-23-19(26)12-24-20(27)17-11-14(9-10-18(17)30-4-2)13-25-21(28)15-7-5-6-8-16(15)22(25)29/h5-11H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide has a molecular weight of 409.44 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 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-[2-(ethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9224613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).