N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C20H20N2O3 — CID 7658806

IUPACN-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-20(2,3)13-8-10-14(11-9-13)21-17(23)12-22-18(24)15-6-4-5-7-16(15)19(22)25/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyGUQGPBCJGWKBJK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.22
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 7658806) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID7658806
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-20(2,3)13-8-10-14(11-9-13)21-17(23)12-22-18(24)15-6-4-5-7-16(15)19(22)25/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyGUQGPBCJGWKBJK-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
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
5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 1248714
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 17171770
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 7658806) is N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is CC(C)(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is GUQGPBCJGWKBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-20(2,3)13-8-10-14(11-9-13)21-17(23)12-22-18(24)15-6-4-5-7-16(15)19(22)25/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 7658806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).