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

C18H22N2O3 — CID 24958811

IUPAC(E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(C(=O)C1CCCCC1)C2)NO
InChIInChI=1S/C18H22N2O3/c21-17(19-23)9-7-13-6-8-15-11-20(12-16(15)10-13)18(22)14-4-2-1-3-5-14/h6-10,14,23H,1-5,11-12H2,(H,19,21)/b9-7+
InChIKeyZLJQKYPEBCODBZ-VQHVLOKHSA-N
MW314.38 g/mol
LogP2.63
Rot. Bonds3

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

(E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 24958811) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID24958811
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(C(=O)C1CCCCC1)C2)NO
InChIInChI=1S/C18H22N2O3/c21-17(19-23)9-7-13-6-8-15-11-20(12-16(15)10-13)18(22)14-4-2-1-3-5-14/h6-10,14,23H,1-5,11-12H2,(H,19,21)/b9-7+
InChIKeyZLJQKYPEBCODBZ-VQHVLOKHSA-N
XLogP2.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.63
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-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide (CID 24958811) is (E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)CN(C(=O)C1CCCCC1)C2)NO.
What is the InChIKey of (E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is ZLJQKYPEBCODBZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17(19-23)9-7-13-6-8-15-11-20(12-16(15)10-13)18(22)14-4-2-1-3-5-14/h6-10,14,23H,1-5,11-12H2,(H,19,21)/b9-7+.
What are the key properties of (E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 314.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(cyclohexanecarbonyl)-1,3-dihydroisoindol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24958811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).