tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate

C23H24N2O5 — CID 19001995

IUPACtert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate
SMILESCc1ccccc1N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H24N2O5/c1-15-9-5-8-12-18(15)24(14-20(27)30-23(2,3)4)19(26)13-25-21(28)16-10-6-7-11-17(16)22(25)29/h5-12H,13-14H2,1-4H3
InChIKeyAPOXGCWKCIMKPI-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.97
Rot. Bonds5

About tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate

tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate (PubChem CID 19001995) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate
PubChem CID19001995
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Nametert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate
SMILESCc1ccccc1N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H24N2O5/c1-15-9-5-8-12-18(15)24(14-20(27)30-23(2,3)4)19(26)13-25-21(28)16-10-6-7-11-17(16)22(25)29/h5-12H,13-14H2,1-4H3
InChIKeyAPOXGCWKCIMKPI-UHFFFAOYSA-N
XLogP2.97
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-phenylanilino)acetate
CID 19001926
tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate
CID 19001966
2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid
CID 67782299
tert-butyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-quinolin-8-ylamino]acetate
CID 15670869
2-[N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
CID 67782373
tert-butyl 2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]acetate
CID 134509436
tert-butyl (2S)-2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate;hydrochloride
CID 127255651
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 679781
2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid
CID 67782205
tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate
CID 134839808
tert-butyl 2-(2,3-dioxoindol-1-yl)acetate
CID 23517202

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate?
The IUPAC name of tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate (CID 19001995) is tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate.
What is the SMILES notation for tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate?
The canonical SMILES for tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate is Cc1ccccc1N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate?
The InChIKey is APOXGCWKCIMKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-15-9-5-8-12-18(15)24(14-20(27)30-23(2,3)4)19(26)13-25-21(28)16-10-6-7-11-17(16)22(25)29/h5-12H,13-14H2,1-4H3.
What are the key properties of tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate?
tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate has a molecular weight of 408.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate is sourced from PubChem (CID 19001995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).