(E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide

C16H20N2O3 — CID 24958070

IUPAC(E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)C(=O)N1Cc2ccc(/C=C/C(=O)NO)cc2C1
InChIInChI=1S/C16H20N2O3/c1-16(2,3)15(20)18-9-12-6-4-11(8-13(12)10-18)5-7-14(19)17-21/h4-8,21H,9-10H2,1-3H3,(H,17,19)/b7-5+
InChIKeyBFFGFJFPPBFVIK-FNORWQNLSA-N
MW288.35 g/mol
LogP2.09
Rot. Bonds2

About (E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 24958070) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID24958070
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)C(=O)N1Cc2ccc(/C=C/C(=O)NO)cc2C1
InChIInChI=1S/C16H20N2O3/c1-16(2,3)15(20)18-9-12-6-4-11(8-13(12)10-18)5-7-14(19)17-21/h4-8,21H,9-10H2,1-3H3,(H,17,19)/b7-5+
InChIKeyBFFGFJFPPBFVIK-FNORWQNLSA-N
XLogP2.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide (CID 24958070) is (E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide is CC(C)(C)C(=O)N1Cc2ccc(/C=C/C(=O)NO)cc2C1.
What is the InChIKey of (E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is BFFGFJFPPBFVIK-FNORWQNLSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,3)15(20)18-9-12-6-4-11(8-13(12)10-18)5-7-14(19)17-21/h4-8,21H,9-10H2,1-3H3,(H,17,19)/b7-5+.
What are the key properties of (E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2,2-dimethylpropanoyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24958070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).