(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide

C19H22N2O2 — CID 11088199

IUPAC(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCCc2ccccc2)cc1)NO
InChIInChI=1S/C19H22N2O2/c22-19(21-23)13-12-17-8-10-18(11-9-17)15-20-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,20,23H,4,7,14-15H2,(H,21,22)/b13-12+
InChIKeyIYVIAGDMQOYYQC-OUKQBFOZSA-N
MW310.40 g/mol
LogP2.93
Rot. Bonds8

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

(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide (PubChem CID 11088199) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide
PubChem CID11088199
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCCc2ccccc2)cc1)NO
InChIInChI=1S/C19H22N2O2/c22-19(21-23)13-12-17-8-10-18(11-9-17)15-20-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,20,23H,4,7,14-15H2,(H,21,22)/b13-12+
InChIKeyIYVIAGDMQOYYQC-OUKQBFOZSA-N
XLogP2.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.93
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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Related Compounds

(2E)-N-Hydroxy-3-(4-((methyl(tricyclo(3.3.1.13,7)dec-1-ylmethyl)amino)methyl)phenyl)-2-propenamide
CID 90479372
N-Phenethyl-3-phenyl-acrylamide
CID 795855
1-Hydroxy-6-[(4-Phenylbenzyl)carbamoyl]-2-pyridinone
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
(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
1-N-benzyl-4-N-hydroxybenzene-1,4-dicarboxamide
CID 9835152

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide (CID 11088199) is (E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCCCc2ccccc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide?
The InChIKey is IYVIAGDMQOYYQC-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(21-23)13-12-17-8-10-18(11-9-17)15-20-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,20,23H,4,7,14-15H2,(H,21,22)/b13-12+.
What are the key properties of (E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide has a molecular weight of 310.40 g/mol, XLogP of 2.93, 8 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-phenylpropylamino)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 11088199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).