(E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

C22H30N2O2 — CID 45257238

IUPAC(E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCC2C3CC4CC(C3)CC2C4)cc1)NO
InChIInChI=1S/C22H30N2O2/c25-22(24-26)6-5-15-1-3-16(4-2-15)14-23-8-7-21-19-10-17-9-18(12-19)13-20(21)11-17/h1-6,17-21,23,26H,7-14H2,(H,24,25)/b6-5+
InChIKeyWMEBDPPWWOYNMP-AATRIKPKSA-N
MW354.49 g/mol
LogP3.76
Rot. Bonds7

About (E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 45257238) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID45257238
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCC2C3CC4CC(C3)CC2C4)cc1)NO
InChIInChI=1S/C22H30N2O2/c25-22(24-26)6-5-15-1-3-16(4-2-15)14-23-8-7-21-19-10-17-9-18(12-19)13-20(21)11-17/h1-6,17-21,23,26H,7-14H2,(H,24,25)/b6-5+
InChIKeyWMEBDPPWWOYNMP-AATRIKPKSA-N
XLogP3.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 45257238) is (E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(CNCCC2C3CC4CC(C3)CC2C4)cc1)NO.
What is the InChIKey of (E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is WMEBDPPWWOYNMP-AATRIKPKSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-22(24-26)6-5-15-1-3-16(4-2-15)14-23-8-7-21-19-10-17-9-18(12-19)13-20(21)11-17/h1-6,17-21,23,26H,7-14H2,(H,24,25)/b6-5+.
What are the key properties of (E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 354.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 45257238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).