3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide

C25H28N4O4 — CID 134033244

IUPAC3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide
SMILESN/C(=N\OCc1cccc(C(=O)NCc2ccco2)c1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C25H28N4O4/c26-24(21-6-1-4-19(14-21)17-29-9-12-31-13-10-29)28-33-18-20-5-2-7-22(15-20)25(30)27-16-23-8-3-11-32-23/h1-8,11,14-15H,9-10,12-13,16-18H2,(H2,26,28)(H,27,30)
InChIKeyJRGFRMRDNHWRKT-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.88
Rot. Bonds9

About 3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide

3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 134033244) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID134033244
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide
SMILESN/C(=N\OCc1cccc(C(=O)NCc2ccco2)c1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C25H28N4O4/c26-24(21-6-1-4-19(14-21)17-29-9-12-31-13-10-29)28-33-18-20-5-2-7-22(15-20)25(30)27-16-23-8-3-11-32-23/h1-8,11,14-15H,9-10,12-13,16-18H2,(H2,26,28)(H,27,30)
InChIKeyJRGFRMRDNHWRKT-UHFFFAOYSA-N
XLogP2.88
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 75532942
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 43921245
N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 126799666
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055949
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 60615571
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
CID 111770257
N-(furan-2-ylmethyl)-3-[(2-morpholin-4-yl-2-oxoethyl)amino]benzamide
CID 54834688

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide (CID 134033244) is 3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide is N/C(=N\OCc1cccc(C(=O)NCc2ccco2)c1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is JRGFRMRDNHWRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c26-24(21-6-1-4-19(14-21)17-29-9-12-31-13-10-29)28-33-18-20-5-2-7-22(15-20)25(30)27-16-23-8-3-11-32-23/h1-8,11,14-15H,9-10,12-13,16-18H2,(H2,26,28)(H,27,30).
What are the key properties of 3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide?
3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 448.52 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 134033244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).