4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide

C27H28N4O4 — CID 118726355

IUPAC4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(OCCN2CCOCC2)c1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C27H28N4O4/c32-26(22-6-2-1-3-7-22)29-24-11-9-23(10-12-24)27(33)30-28-20-21-5-4-8-25(19-21)35-18-15-31-13-16-34-17-14-31/h1-12,19-20H,13-18H2,(H,29,32)(H,30,33)/b28-20+
InChIKeyJEXCCMQJAICVGR-VFCFBJKWSA-N
MW472.55 g/mol
LogP3.41
Rot. Bonds9

About 4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide

4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide (PubChem CID 118726355) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide
PubChem CID118726355
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(OCCN2CCOCC2)c1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C27H28N4O4/c32-26(22-6-2-1-3-7-22)29-24-11-9-23(10-12-24)27(33)30-28-20-21-5-4-8-25(19-21)35-18-15-31-13-16-34-17-14-31/h1-12,19-20H,13-18H2,(H,29,32)(H,30,33)/b28-20+
InChIKeyJEXCCMQJAICVGR-VFCFBJKWSA-N
XLogP3.41
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide (CID 118726355) is 4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide is O=C(N/N=C/c1cccc(OCCN2CCOCC2)c1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is JEXCCMQJAICVGR-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H28N4O4/c32-26(22-6-2-1-3-7-22)29-24-11-9-23(10-12-24)27(33)30-28-20-21-5-4-8-25(19-21)35-18-15-31-13-16-34-17-14-31/h1-12,19-20H,13-18H2,(H,29,32)(H,30,33)/b28-20+.
What are the key properties of 4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide?
4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 472.55 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 118726355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).