(E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride

C16H22ClN3O4 — CID 86761195

IUPAC(E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
SMILESCl.O=C(/C=C/c1cccc(C=NOCCN2CCOCC2)c1)NO
InChIInChI=1S/C16H21N3O4.ClH/c20-16(18-21)5-4-14-2-1-3-15(12-14)13-17-23-11-8-19-6-9-22-10-7-19;/h1-5,12-13,21H,6-11H2,(H,18,20);1H/b5-4+,17-13?;
InChIKeyWNSMZNNXMAXKHW-CUFFHGBCSA-N
MW355.82 g/mol
LogP1.31
Rot. Bonds7

About (E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride

(E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride (PubChem CID 86761195) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
PubChem CID86761195
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC Name(E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
SMILESCl.O=C(/C=C/c1cccc(C=NOCCN2CCOCC2)c1)NO
InChIInChI=1S/C16H21N3O4.ClH/c20-16(18-21)5-4-14-2-1-3-15(12-14)13-17-23-11-8-19-6-9-22-10-7-19;/h1-5,12-13,21H,6-11H2,(H,18,20);1H/b5-4+,17-13?;
InChIKeyWNSMZNNXMAXKHW-CUFFHGBCSA-N
XLogP1.31
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

(E)-N-hydroxy-3-[3-[(E)-2-morpholin-4-ylethoxyiminomethyl]phenyl]prop-2-enamide
CID 44592024
3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid
CID 173100165
(E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
CID 140526726
1-(4-hydrazinylphenyl)-N-(2-morpholin-4-ylethoxy)methanimine;hydrochloride
CID 87290774
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
(E)-1-(4-hydrazinylphenyl)-N-(2-morpholin-4-ylethoxy)methanimine
CID 58265610
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide
CID 3887440
N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 173066122
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride?
The IUPAC name of (E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride (CID 86761195) is (E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride.
What is the SMILES notation for (E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride?
The canonical SMILES for (E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride is Cl.O=C(/C=C/c1cccc(C=NOCCN2CCOCC2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride?
The InChIKey is WNSMZNNXMAXKHW-CUFFHGBCSA-N. The full InChI is InChI=1S/C16H21N3O4.ClH/c20-16(18-21)5-4-14-2-1-3-15(12-14)13-17-23-11-8-19-6-9-22-10-7-19;/h1-5,12-13,21H,6-11H2,(H,18,20);1H/b5-4+,17-13?;.
What are the key properties of (E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride?
(E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride has a molecular weight of 355.82 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 86761195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).