(E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide

C18H18N2O2 — CID 24957697

IUPAC(E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(Cc1ccccc1)C2)NO
InChIInChI=1S/C18H18N2O2/c21-18(19-22)9-7-14-6-8-16-12-20(13-17(16)10-14)11-15-4-2-1-3-5-15/h1-10,22H,11-13H2,(H,19,21)/b9-7+
InChIKeyRKYHGQAGXKTIKE-VQHVLOKHSA-N
MW294.35 g/mol
LogP2.72
Rot. Bonds4

About (E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide

(E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide (PubChem CID 24957697) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide
PubChem CID24957697
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(Cc1ccccc1)C2)NO
InChIInChI=1S/C18H18N2O2/c21-18(19-22)9-7-14-6-8-16-12-20(13-17(16)10-14)11-15-4-2-1-3-5-15/h1-10,22H,11-13H2,(H,19,21)/b9-7+
InChIKeyRKYHGQAGXKTIKE-VQHVLOKHSA-N
XLogP2.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.72
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-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide (CID 24957697) is (E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)CN(Cc1ccccc1)C2)NO.
What is the InChIKey of (E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide?
The InChIKey is RKYHGQAGXKTIKE-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-18(19-22)9-7-14-6-8-16-12-20(13-17(16)10-14)11-15-4-2-1-3-5-15/h1-10,22H,11-13H2,(H,19,21)/b9-7+.
What are the key properties of (E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide?
(E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-benzyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24957697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).