3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid

C20H20N2O5 — CID 126245308

IUPAC3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
SMILESO=C(O)c1cccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H20N2O5/c23-19(22-8-10-26-11-9-22)14-27-18-6-4-15(5-7-18)13-21-17-3-1-2-16(12-17)20(24)25/h1-7,12-13H,8-11,14H2,(H,24,25)/b21-13+
InChIKeyBZQVYSQBUZCLOJ-FYJGNVAPSA-N
MW368.39 g/mol
LogP2.37
Rot. Bonds6

About 3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid

3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid (PubChem CID 126245308) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid.

Molecular Properties

Compound Name3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
PubChem CID126245308
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
SMILESO=C(O)c1cccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H20N2O5/c23-19(22-8-10-26-11-9-22)14-27-18-6-4-15(5-7-18)13-21-17-3-1-2-16(12-17)20(24)25/h1-7,12-13H,8-11,14H2,(H,24,25)/b21-13+
InChIKeyBZQVYSQBUZCLOJ-FYJGNVAPSA-N
XLogP2.37
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246748
1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
CID 126243299
2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5173161
3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid
CID 10410138
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126253048
2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246659
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
3-[(5E)-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 126102224
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126027835
2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126243345
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126015984
(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-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid?
The IUPAC name of 3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid (CID 126245308) is 3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid.
What is the SMILES notation for 3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid?
The canonical SMILES for 3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid is O=C(O)c1cccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid?
The InChIKey is BZQVYSQBUZCLOJ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-19(22-8-10-26-11-9-22)14-27-18-6-4-15(5-7-18)13-21-17-3-1-2-16(12-17)20(24)25/h1-7,12-13H,8-11,14H2,(H,24,25)/b21-13+.
What are the key properties of 3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid?
3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid has a molecular weight of 368.39 g/mol, XLogP of 2.37, 6 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-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid is sourced from PubChem (CID 126245308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).