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

C17H18N2O2 — CID 45487936

IUPAC(E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCc2ccccc2)cc1)NO
InChIInChI=1S/C17H18N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h1-11,18,21H,12-13H2,(H,19,20)/b11-10+
InChIKeyAIMWEDAKLBYHFA-ZHACJKMWSA-N
MW282.34 g/mol
LogP2.49
Rot. Bonds6

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

(E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 45487936) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID45487936
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCc2ccccc2)cc1)NO
InChIInChI=1S/C17H18N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h1-11,18,21H,12-13H2,(H,19,20)/b11-10+
InChIKeyAIMWEDAKLBYHFA-ZHACJKMWSA-N
XLogP2.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.49
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

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CID 24857924
(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
N-Benzylcinnamamide
CID 910211
(2E)-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 5720182
N, N-Bis(phenylmethyl)hexanediamide
CID 4079537
(E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
CID 163183792
N-hydroxy-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11323577

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide (CID 45487936) is (E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(CNCc2ccccc2)cc1)NO.
What is the InChIKey of (E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is AIMWEDAKLBYHFA-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h1-11,18,21H,12-13H2,(H,19,20)/b11-10+.
What are the key properties of (E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(benzylamino)methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 45487936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).