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

C19H16N2O5 — CID 67782299

IUPAC2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid
SMILESCc1ccccc1N(CC(=O)O)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N2O5/c1-12-6-2-5-9-15(12)20(11-17(23)24)16(22)10-21-18(25)13-7-3-4-8-14(13)19(21)26/h2-9H,10-11H2,1H3,(H,23,24)
InChIKeyUYYVSRKLKUDLNH-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.71
Rot. Bonds5

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

2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid (PubChem CID 67782299) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid
PubChem CID67782299
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid
SMILESCc1ccccc1N(CC(=O)O)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N2O5/c1-12-6-2-5-9-15(12)20(11-17(23)24)16(22)10-21-18(25)13-7-3-4-8-14(13)19(21)26/h2-9H,10-11H2,1H3,(H,23,24)
InChIKeyUYYVSRKLKUDLNH-UHFFFAOYSA-N
XLogP1.71
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.71
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

tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate
CID 19001995
2-(2-anilino-N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)acetic acid
CID 67782205
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-methoxyanilino)acetate
CID 19001966
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
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2-methylphenyl)prop-2-enamide
CID 142153800
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442470
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
tert-butyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-quinolin-8-ylamino]acetate
CID 15670869

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid?
The IUPAC name of 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid (CID 67782299) is 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid?
The canonical SMILES for 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid is Cc1ccccc1N(CC(=O)O)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid?
The InChIKey is UYYVSRKLKUDLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12-6-2-5-9-15(12)20(11-17(23)24)16(22)10-21-18(25)13-7-3-4-8-14(13)19(21)26/h2-9H,10-11H2,1H3,(H,23,24).
What are the key properties of 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid?
2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid has a molecular weight of 352.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid is sourced from PubChem (CID 67782299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).