N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide

C20H19N3O3 — CID 55802247

IUPACN-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C20H19N3O3/c1-3-21-19(25)14-8-10-15(11-9-14)22-18(24)12-23-13(2)16-6-4-5-7-17(16)20(23)26/h4-11H,2-3,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyVPQLCYKACXYZSY-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide

N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide (PubChem CID 55802247) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide
PubChem CID55802247
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C20H19N3O3/c1-3-21-19(25)14-8-10-15(11-9-14)22-18(24)12-23-13(2)16-6-4-5-7-17(16)20(23)26/h4-11H,2-3,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyVPQLCYKACXYZSY-UHFFFAOYSA-N
XLogP2.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674
N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55960851
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592169
N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18154251
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 17492143
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 51317122
propan-2-yl 4-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]benzoate
CID 16598611
N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
CID 7960039
N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
CID 2406200
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592135

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide (CID 55802247) is N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(C(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide?
The InChIKey is VPQLCYKACXYZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-21-19(25)14-8-10-15(11-9-14)22-18(24)12-23-13(2)16-6-4-5-7-17(16)20(23)26/h4-11H,2-3,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide?
N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55802247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).