N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide

C20H19N3O4 — CID 108537946

IUPACN-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H19N3O4/c1-13-6-8-14(9-7-13)18(25)22-11-10-21-17(24)12-23-19(26)15-4-2-3-5-16(15)20(23)27/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyDBSLKSSTRAANHA-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.14
Rot. Bonds6

About N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide

N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide (PubChem CID 108537946) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
PubChem CID108537946
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H19N3O4/c1-13-6-8-14(9-7-13)18(25)22-11-10-21-17(24)12-23-19(26)15-4-2-3-5-16(15)20(23)27/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyDBSLKSSTRAANHA-UHFFFAOYSA-N
XLogP1.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
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

N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-4-methylbenzamide
CID 108537941
N-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110779654
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide
CID 3367291
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
(4-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670574
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
CID 108537858
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide (CID 108537946) is N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide?
The InChIKey is DBSLKSSTRAANHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-6-8-14(9-7-13)18(25)22-11-10-21-17(24)12-23-19(26)15-4-2-3-5-16(15)20(23)27/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide?
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide has a molecular weight of 365.39 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 108537946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).