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

C22H28N2O3 — CID 46199696

IUPAC(E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNC(=O)CC2C3CC4CC(C3)CC2C4)cc1)NO
InChIInChI=1S/C22H28N2O3/c25-21(24-27)6-5-14-1-3-15(4-2-14)13-23-22(26)12-20-18-8-16-7-17(10-18)11-19(20)9-16/h1-6,16-20,27H,7-13H2,(H,23,26)(H,24,25)/b6-5+
InChIKeyXXTPTBQTLVRQBR-AATRIKPKSA-N
MW368.48 g/mol
LogP3.28
Rot. Bonds6

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

(E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 46199696) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID46199696
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNC(=O)CC2C3CC4CC(C3)CC2C4)cc1)NO
InChIInChI=1S/C22H28N2O3/c25-21(24-27)6-5-14-1-3-15(4-2-14)13-23-22(26)12-20-18-8-16-7-17(10-18)11-19(20)9-16/h1-6,16-20,27H,7-13H2,(H,23,26)(H,24,25)/b6-5+
InChIKeyXXTPTBQTLVRQBR-AATRIKPKSA-N
XLogP3.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.28
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
Bavarostat
CID 134812690
3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 71680913
(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
N-[(adamantan-1-yl)methyl]benzamide
CID 3452818
N-(1-adamantylmethyl)-2-methylbenzamide
CID 8923919
4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide
CID 145865296
N-hydroxy-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11323577
N-[2-(1-adamantylamino)-2-oxoethyl]-4-methylbenzamide
CID 17513598
N-benzyladamantane-1-carboxamide
CID 3826889

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 46199696) is (E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(CNC(=O)CC2C3CC4CC(C3)CC2C4)cc1)NO.
What is the InChIKey of (E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is XXTPTBQTLVRQBR-AATRIKPKSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-21(24-27)6-5-14-1-3-15(4-2-14)13-23-22(26)12-20-18-8-16-7-17(10-18)11-19(20)9-16/h1-6,16-20,27H,7-13H2,(H,23,26)(H,24,25)/b6-5+.
What are the key properties of (E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[[2-(2-adamantyl)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 368.48 g/mol, XLogP of 3.28, 6 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)acetyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 46199696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).