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

C26H30N2O2 — CID 46199538

IUPAC(E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNC23CC4CC(C2)CC(c2ccccc2)(C4)C3)cc1)NO
InChIInChI=1S/C26H30N2O2/c29-24(28-30)11-10-19-6-8-20(9-7-19)17-27-26-15-21-12-22(16-26)14-25(13-21,18-26)23-4-2-1-3-5-23/h1-11,21-22,27,30H,12-18H2,(H,28,29)/b11-10+
InChIKeyXRMIAXSVSCSHAA-ZHACJKMWSA-N
MW402.54 g/mol
LogP4.59
Rot. Bonds6

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

(E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide (PubChem CID 46199538) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
PubChem CID46199538
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name(E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNC23CC4CC(C2)CC(c2ccccc2)(C4)C3)cc1)NO
InChIInChI=1S/C26H30N2O2/c29-24(28-30)11-10-19-6-8-20(9-7-19)17-27-26-15-21-12-22(16-26)14-25(13-21,18-26)23-4-2-1-3-5-23/h1-11,21-22,27,30H,12-18H2,(H,28,29)/b11-10+
InChIKeyXRMIAXSVSCSHAA-ZHACJKMWSA-N
XLogP4.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.59
H-Bond Donors ≤ 53
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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Related Compounds

(2E)-N-Hydroxy-3-(4-((methyl(tricyclo(3.3.1.13,7)dec-1-ylmethyl)amino)methyl)phenyl)-2-propenamide
CID 90479372
(E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 45257238
(E)-3-[4-[(1-adamantylmethylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46199539
(e)-3-(4-((((3r,5r,7r)-adamantan-1-ylmethyl)(methyl)amino)methyl)-phenyl)-N-hydroxyacrylamide
CID 46199695
(E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide
CID 46200169
(E)-N-hydroxy-3-[4-[[1-(3-tricyclo[3.3.1.03,7]nonanyl)ethylamino]methyl]phenyl]prop-2-enamide
CID 73353363
(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide
CID 11088199
(2E)-3-{4-[(adamant-1-ylamino)methyl]phenyl}-N-hydroxy acrylamide
CID 46199387
(E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
CID 46199388
(E)-3-[4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46199391
(E)-3-[4-[[(3-chloro-1-adamantyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46199537
(E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46199696

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide (CID 46199538) is (E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNC23CC4CC(C2)CC(c2ccccc2)(C4)C3)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide?
The InChIKey is XRMIAXSVSCSHAA-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H30N2O2/c29-24(28-30)11-10-19-6-8-20(9-7-19)17-27-26-15-21-12-22(16-26)14-25(13-21,18-26)23-4-2-1-3-5-23/h1-11,21-22,27,30H,12-18H2,(H,28,29)/b11-10+.
What are the key properties of (E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide has a molecular weight of 402.54 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 46199538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).