3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide

C20H19N3O4 — CID 46593452

IUPAC3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H19N3O4/c1-21-18(25)14-6-4-5-13(11-14)12-22-17(24)9-10-23-19(26)15-7-2-3-8-16(15)20(23)27/h2-8,11H,9-10,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyNQZIGFJQNMZDER-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.35
Rot. Bonds6

About 3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide

3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide (PubChem CID 46593452) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide
PubChem CID46593452
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H19N3O4/c1-21-18(25)14-6-4-5-13(11-14)12-22-17(24)9-10-23-19(26)15-7-2-3-8-16(15)20(23)27/h2-8,11H,9-10,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyNQZIGFJQNMZDER-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzoic acid
CID 108767672
N-[[3-(difluoromethoxy)phenyl]methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 47087962
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
CID 119719954
N-[(3-acetamidophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46477960
3-[[[3-(benzylamino)-3-oxopropyl]carbamothioylamino]methyl]-N-methylbenzamide
CID 16664467
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-fluorobenzamide
CID 108540746
N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32917381
N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926385
N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide
CID 30426434
3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596248
[3-[[4-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928355
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55797930

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide (CID 46593452) is 3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide?
The InChIKey is NQZIGFJQNMZDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-21-18(25)14-6-4-5-13(11-14)12-22-17(24)9-10-23-19(26)15-7-2-3-8-16(15)20(23)27/h2-8,11H,9-10,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide?
3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide has a molecular weight of 365.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 46593452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).