(E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide

C20H26N2O3 — CID 46199388

IUPAC(E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNC23CC4CC(CC(O)(C4)C2)C3)cc1)NO
InChIInChI=1S/C20H26N2O3/c23-18(22-25)6-5-14-1-3-15(4-2-14)12-21-19-8-16-7-17(9-19)11-20(24,10-16)13-19/h1-6,16-17,21,24-25H,7-13H2,(H,22,23)/b6-5+
InChIKeyHYWWJTQPMSDRJZ-AATRIKPKSA-N
MW342.44 g/mol
LogP2.38
Rot. Bonds5

About (E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide (PubChem CID 46199388) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
PubChem CID46199388
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNC23CC4CC(CC(O)(C4)C2)C3)cc1)NO
InChIInChI=1S/C20H26N2O3/c23-18(22-25)6-5-14-1-3-15(4-2-14)12-21-19-8-16-7-17(9-19)11-20(24,10-16)13-19/h1-6,16-17,21,24-25H,7-13H2,(H,22,23)/b6-5+
InChIKeyHYWWJTQPMSDRJZ-AATRIKPKSA-N
XLogP2.38
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.38
H-Bond Donors ≤ 54
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'}

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Related Compounds

(2E)-3-{4-[(adamant-1-ylamino)methyl]phenyl}-N-hydroxy acrylamide
CID 46199387
(E)-N-hydroxy-3-[4-[[(3-methoxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
CID 46199389
(E)-3-[4-[[(3-ethoxy-1-adamantyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46199390
(E)-3-[4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46199391
(E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
CID 46199538
(E)-N-hydroxy-3-[4-[[[3-(hydroxymethyl)-1-adamantyl]amino]methyl]phenyl]prop-2-enamide
CID 73353364
3-[(4-Tert-butylphenyl)methylamino]adamantan-1-ol
CID 137657624
(E)-3-[3-[(1-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
CID 122548367
3-(Benzylamino)-1-adamantanol
CID 17216439
3-fluoro-N-[[4-[(3-hydroxy-1-adamantyl)carbamoyl]phenyl]methyl]-N-methylbenzamide
CID 57690316
4-[[[2-(3-fluorophenyl)-2-oxoethyl]amino]methyl]-N-(3-hydroxy-1-adamantyl)benzamide
CID 68800861
N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide
CID 146603069

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide (CID 46199388) is (E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNC23CC4CC(CC(O)(C4)C2)C3)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide?
The InChIKey is HYWWJTQPMSDRJZ-AATRIKPKSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18(22-25)6-5-14-1-3-15(4-2-14)12-21-19-8-16-7-17(9-19)11-20(24,10-16)13-19/h1-6,16-17,21,24-25H,7-13H2,(H,22,23)/b6-5+.
What are the key properties of (E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide has a molecular weight of 342.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 46199388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).