4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione

C14H16N2O4 — CID 115949870

IUPAC4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione
SMILESCC(C)(C)OCC(=O)N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C14H16N2O4/c1-14(2,3)20-7-10(17)16-12(18)8-5-4-6-9(15)11(8)13(16)19/h4-6H,7,15H2,1-3H3
InChIKeyYSACMCJAKVPENV-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.21
Rot. Bonds2

About 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione

4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione (PubChem CID 115949870) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione
PubChem CID115949870
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione
SMILESCC(C)(C)OCC(=O)N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C14H16N2O4/c1-14(2,3)20-7-10(17)16-12(18)8-5-4-6-9(15)11(8)13(16)19/h4-6H,7,15H2,1-3H3
InChIKeyYSACMCJAKVPENV-UHFFFAOYSA-N
XLogP1.21
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[2-(2-methylphenoxy)acetyl]isoindole-1,3-dione
CID 2455582
4-amino-2-(7-aminoheptanoyl)isoindole-1,3-dione
CID 43702480
4-(4-amino-1,3-dioxoisoindol-2-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993073
phenyl 4-amino-1,3-dioxoisoindole-2-carboxylate
CID 60630262
4-amino-2-[(Z)-but-2-enoyl]isoindole-1,3-dione
CID 97305211
4-amino-2-[3-(3,4-dimethoxyphenyl)propanoyl]isoindole-1,3-dione
CID 2534232
4-amino-2-[(2S)-2-amino-3-methylbutanoyl]isoindole-1,3-dione
CID 61178517
4-amino-2-[2-(azetidin-3-ylidene)propanoyl]isoindole-1,3-dione
CID 116675265
2-(4-amino-1,3-dioxoisoindol-2-yl)-2-methylpentanedioic acid
CID 70209549
4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione
CID 2420069
4-amino-2-(3-bromobenzoyl)isoindole-1,3-dione
CID 2368018
ethyl 4-ethyl-1,3-dioxoisoindole-2-carboxylate
CID 154222637

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione (CID 115949870) is 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione is CC(C)(C)OCC(=O)N1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione?
The InChIKey is YSACMCJAKVPENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-14(2,3)20-7-10(17)16-12(18)8-5-4-6-9(15)11(8)13(16)19/h4-6H,7,15H2,1-3H3.
What are the key properties of 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione?
4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione has a molecular weight of 276.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione is sourced from PubChem (CID 115949870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).