(E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide

C22H21N3O3 — CID 24958815

IUPAC(E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N1Cc2ccc(/C=C/C(=O)NO)cc2C1
InChIInChI=1S/C22H21N3O3/c1-14-19(18-4-2-3-5-20(18)23-14)11-22(27)25-12-16-8-6-15(10-17(16)13-25)7-9-21(26)24-28/h2-10,23,28H,11-13H2,1H3,(H,24,26)/b9-7+
InChIKeyCKDQKKHRBBRACM-VQHVLOKHSA-N
MW375.43 g/mol
LogP3.08
Rot. Bonds4

About (E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide (PubChem CID 24958815) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
PubChem CID24958815
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N1Cc2ccc(/C=C/C(=O)NO)cc2C1
InChIInChI=1S/C22H21N3O3/c1-14-19(18-4-2-3-5-20(18)23-14)11-22(27)25-12-16-8-6-15(10-17(16)13-25)7-9-21(26)24-28/h2-10,23,28H,11-13H2,1H3,(H,24,26)/b9-7+
InChIKeyCKDQKKHRBBRACM-VQHVLOKHSA-N
XLogP3.08
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide (CID 24958815) is (E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide is Cc1[nH]c2ccccc2c1CC(=O)N1Cc2ccc(/C=C/C(=O)NO)cc2C1.
What is the InChIKey of (E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The InChIKey is CKDQKKHRBBRACM-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-19(18-4-2-3-5-20(18)23-14)11-22(27)25-12-16-8-6-15(10-17(16)13-25)7-9-21(26)24-28/h2-10,23,28H,11-13H2,1H3,(H,24,26)/b9-7+.
What are the key properties of (E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide has a molecular weight of 375.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide is sourced from PubChem (CID 24958815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).