3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid

C16H20N2O4 — CID 173100165

IUPAC3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(C=NOCCN2CCOCC2)cc1
InChIInChI=1S/C16H20N2O4/c19-16(20)6-5-14-1-3-15(4-2-14)13-17-22-12-9-18-7-10-21-11-8-18/h1-6,13H,7-12H2,(H,19,20)
InChIKeyXROCVKOZFGYYTA-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.47
Rot. Bonds7

About 3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid

3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid (PubChem CID 173100165) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid
PubChem CID173100165
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(C=NOCCN2CCOCC2)cc1
InChIInChI=1S/C16H20N2O4/c19-16(20)6-5-14-1-3-15(4-2-14)13-17-22-12-9-18-7-10-21-11-8-18/h1-6,13H,7-12H2,(H,19,20)
InChIKeyXROCVKOZFGYYTA-UHFFFAOYSA-N
XLogP1.47
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
(E)-N-hydroxy-3-[3-[(E)-2-morpholin-4-ylethoxyiminomethyl]phenyl]prop-2-enamide
CID 44592024
(E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
CID 86761195
(E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
CID 140526726
(E)-1-(4-hydrazinylphenyl)-N-(2-morpholin-4-ylethoxy)methanimine
CID 58265610
1-(4-hydrazinylphenyl)-N-(2-morpholin-4-ylethoxy)methanimine;hydrochloride
CID 87290774
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 89092566
(E)-3-[2-(2-morpholin-4-ylethoxymethyl)phenyl]prop-2-enoic acid
CID 18765885
6-methyl-5-[4-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 85050931
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid (CID 173100165) is 3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(C=NOCCN2CCOCC2)cc1.
What is the InChIKey of 3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid?
The InChIKey is XROCVKOZFGYYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-16(20)6-5-14-1-3-15(4-2-14)13-17-22-12-9-18-7-10-21-11-8-18/h1-6,13H,7-12H2,(H,19,20).
What are the key properties of 3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid?
3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 173100165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).