N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide

C19H18N2O4 — CID 965730

IUPACN-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O4/c1-12(2)13-7-5-6-10-16(13)25-11-17(22)20-21-18(23)14-8-3-4-9-15(14)19(21)24/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyBDORZEWXTRIZQK-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.52
Rot. Bonds5

About N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide

N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 965730) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID965730
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O4/c1-12(2)13-7-5-6-10-16(13)25-11-17(22)20-21-18(23)14-8-3-4-9-15(14)19(21)24/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyBDORZEWXTRIZQK-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 142645113
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561
N-(1-methylpyrazol-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 18152526
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 8752279
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide (CID 965730) is N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is BDORZEWXTRIZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(2)13-7-5-6-10-16(13)25-11-17(22)20-21-18(23)14-8-3-4-9-15(14)19(21)24/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 338.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 965730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).