(E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide

C23H31N3O3 — CID 122514285

IUPAC(E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide
SMILESCC1(C(=O)N2CC3(CCCN3c3ccccc3/C=C/C(=O)NO)C2)CCCCC1
InChIInChI=1S/C23H31N3O3/c1-22(12-5-2-6-13-22)21(28)25-16-23(17-25)14-7-15-26(23)19-9-4-3-8-18(19)10-11-20(27)24-29/h3-4,8-11,29H,2,5-7,12-17H2,1H3,(H,24,27)/b11-10+
InChIKeyLFLOKMBKVDJKTH-ZHACJKMWSA-N
MW397.52 g/mol
LogP3.36
Rot. Bonds4

About (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide (PubChem CID 122514285) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide
PubChem CID122514285
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name(E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide
SMILESCC1(C(=O)N2CC3(CCCN3c3ccccc3/C=C/C(=O)NO)C2)CCCCC1
InChIInChI=1S/C23H31N3O3/c1-22(12-5-2-6-13-22)21(28)25-16-23(17-25)14-7-15-26(23)19-9-4-3-8-18(19)10-11-20(27)24-29/h3-4,8-11,29H,2,5-7,12-17H2,1H3,(H,24,27)/b11-10+
InChIKeyLFLOKMBKVDJKTH-ZHACJKMWSA-N
XLogP3.36
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,5-diazaspiro[3.4]octane-2-carboxylate
CID 122535860
(E)-4-[2-(2-acetyl-2,5-diazaspiro[3.4]octan-5-yl)phenyl]-1-hydroxybut-3-en-2-one
CID 159167604
2-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,6-diazaspiro[4.5]decane-6-carboxylic acid
CID 122513967
(E)-3-[2-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514284
(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 166920810
(E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide
CID 122514492
(E)-3-[2-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514032
(E)-3-[2-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122513920
(E)-3-[2-(azocan-1-yl)phenyl]prop-2-enoic acid
CID 29019087
(E)-3-[4-bromo-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]prop-2-enoic acid
CID 55162126
(E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide
CID 122514325
(E)-3-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122513951

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide (CID 122514285) is (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide is CC1(C(=O)N2CC3(CCCN3c3ccccc3/C=C/C(=O)NO)C2)CCCCC1.
What is the InChIKey of (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide?
The InChIKey is LFLOKMBKVDJKTH-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-22(12-5-2-6-13-22)21(28)25-16-23(17-25)14-7-15-26(23)19-9-4-3-8-18(19)10-11-20(27)24-29/h3-4,8-11,29H,2,5-7,12-17H2,1H3,(H,24,27)/b11-10+.
What are the key properties of (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide has a molecular weight of 397.52 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[2-(1-methylcyclohexanecarbonyl)-2,5-diazaspiro[3.4]octan-5-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 122514285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).