2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide

C18H17N3O3 — CID 23824241

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
SMILESCCNc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-2-19-12-7-9-13(10-8-12)20-16(22)11-21-17(23)14-5-3-4-6-15(14)18(21)24/h3-10,19H,2,11H2,1H3,(H,20,22)
InChIKeyCFXHEXRQKUFAET-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.35
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide (PubChem CID 23824241) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
PubChem CID23824241
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
SMILESCCNc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-2-19-12-7-9-13(10-8-12)20-16(22)11-21-17(23)14-5-3-4-6-15(14)18(21)24/h3-10,19H,2,11H2,1H3,(H,20,22)
InChIKeyCFXHEXRQKUFAET-UHFFFAOYSA-N
XLogP2.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.35
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

N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
CID 26776950
N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2905131
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3347715
N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide
CID 55802247
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55960851
N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
CID 7960039
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide (CID 23824241) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide is CCNc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide?
The InChIKey is CFXHEXRQKUFAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-19-12-7-9-13(10-8-12)20-16(22)11-21-17(23)14-5-3-4-6-15(14)18(21)24/h3-10,19H,2,11H2,1H3,(H,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide is sourced from PubChem (CID 23824241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).