(E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide

C24H26N2O4 — CID 87208855

IUPAC(E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
SMILESCc1ccccc1CN1CCC2(CC1)CC(=O)c1cc(/C=C/C(=O)NO)ccc1O2
InChIInChI=1S/C24H26N2O4/c1-17-4-2-3-5-19(17)16-26-12-10-24(11-13-26)15-21(27)20-14-18(6-8-22(20)30-24)7-9-23(28)25-29/h2-9,14,29H,10-13,15-16H2,1H3,(H,25,28)/b9-7+
InChIKeyHQVCUUOXRRJVFK-VQHVLOKHSA-N
MW406.48 g/mol
LogP3.51
Rot. Bonds4

About (E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide

(E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide (PubChem CID 87208855) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
PubChem CID87208855
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name(E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
SMILESCc1ccccc1CN1CCC2(CC1)CC(=O)c1cc(/C=C/C(=O)NO)ccc1O2
InChIInChI=1S/C24H26N2O4/c1-17-4-2-3-5-19(17)16-26-12-10-24(11-13-26)15-21(27)20-14-18(6-8-22(20)30-24)7-9-23(28)25-29/h2-9,14,29H,10-13,15-16H2,1H3,(H,25,28)/b9-7+
InChIKeyHQVCUUOXRRJVFK-VQHVLOKHSA-N
XLogP3.51
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide (CID 87208855) is (E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide is Cc1ccccc1CN1CCC2(CC1)CC(=O)c1cc(/C=C/C(=O)NO)ccc1O2.
What is the InChIKey of (E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide?
The InChIKey is HQVCUUOXRRJVFK-VQHVLOKHSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-17-4-2-3-5-19(17)16-26-12-10-24(11-13-26)15-21(27)20-14-18(6-8-22(20)30-24)7-9-23(28)25-29/h2-9,14,29H,10-13,15-16H2,1H3,(H,25,28)/b9-7+.
What are the key properties of (E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide has a molecular weight of 406.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1'-[(2-methylphenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide is sourced from PubChem (CID 87208855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).