2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid

C24H19N3O5 — CID 67782205

IUPAC2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C24H19N3O5/c28-21(14-27-23(31)17-10-4-5-11-18(17)24(27)32)26(15-22(29)30)20-13-7-6-12-19(20)25-16-8-2-1-3-9-16/h1-13,25H,14-15H2,(H,29,30)
InChIKeyHZVUWXSRRBYSOZ-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.14
Rot. Bonds7

About 2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid

2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid (PubChem CID 67782205) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is 2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid
PubChem CID67782205
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C24H19N3O5/c28-21(14-27-23(31)17-10-4-5-11-18(17)24(27)32)26(15-22(29)30)20-13-7-6-12-19(20)25-16-8-2-1-3-9-16/h1-13,25H,14-15H2,(H,29,30)
InChIKeyHZVUWXSRRBYSOZ-UHFFFAOYSA-N
XLogP3.14
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid
CID 67782299
2-[N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
CID 67782373
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
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-methylanilino)acetate
CID 19001995
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767299
tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate
CID 19001966
4-(1,3-dioxoisoindol-2-yl)-3-oxo-N-phenylbutanamide
CID 154148523
N-[2-(4-chloro-N-methylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide
CID 14996846
2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 119193158
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190371
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid?
The IUPAC name of 2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid (CID 67782205) is 2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid.
What is the SMILES notation for 2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid?
The canonical SMILES for 2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid is O=C(O)CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid?
The InChIKey is HZVUWXSRRBYSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c28-21(14-27-23(31)17-10-4-5-11-18(17)24(27)32)26(15-22(29)30)20-13-7-6-12-19(20)25-16-8-2-1-3-9-16/h1-13,25H,14-15H2,(H,29,30).
What are the key properties of 2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid?
2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid has a molecular weight of 429.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid is sourced from PubChem (CID 67782205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).