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

C18H20N2O3 — CID 155523907

IUPAC(E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide
SMILESCOc1ccccc1CNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C18H20N2O3/c1-23-17-5-3-2-4-16(17)13-19-12-15-8-6-14(7-9-15)10-11-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b11-10+
InChIKeySCHKQNOMUHQIJH-ZHACJKMWSA-N
MW312.37 g/mol
LogP2.50
Rot. Bonds7

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

(E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide (PubChem CID 155523907) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide
PubChem CID155523907
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide
SMILESCOc1ccccc1CNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C18H20N2O3/c1-23-17-5-3-2-4-16(17)13-19-12-15-8-6-14(7-9-15)10-11-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b11-10+
InChIKeySCHKQNOMUHQIJH-ZHACJKMWSA-N
XLogP2.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide (CID 155523907) is (E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide is COc1ccccc1CNCc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is SCHKQNOMUHQIJH-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-17-5-3-2-4-16(17)13-19-12-15-8-6-14(7-9-15)10-11-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b11-10+.
What are the key properties of (E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 155523907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).