N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide

C24H25N3O2 — CID 6903536

IUPACN-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H25N3O2/c28-24(20-9-5-2-6-10-20)26-25-18-22-12-11-21(17-19-7-3-1-4-8-19)23(22)27-13-15-29-16-14-27/h1-10,17-18H,11-16H2,(H,26,28)/b21-17-,25-18+
InChIKeyZPCUBGYRLUQIKO-VSXJQMJZSA-N
MW387.48 g/mol
LogP3.87
Rot. Bonds5

About N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide

N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide (PubChem CID 6903536) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide
PubChem CID6903536
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H25N3O2/c28-24(20-9-5-2-6-10-20)26-25-18-22-12-11-21(17-19-7-3-1-4-8-19)23(22)27-13-15-29-16-14-27/h1-10,17-18H,11-16H2,(H,26,28)/b21-17-,25-18+
InChIKeyZPCUBGYRLUQIKO-VSXJQMJZSA-N
XLogP3.87
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'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 N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide?
The IUPAC name of N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide (CID 6903536) is N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide?
The canonical SMILES for N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide is O=C(N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide?
The InChIKey is ZPCUBGYRLUQIKO-VSXJQMJZSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(20-9-5-2-6-10-20)26-25-18-22-12-11-21(17-19-7-3-1-4-8-19)23(22)27-13-15-29-16-14-27/h1-10,17-18H,11-16H2,(H,26,28)/b21-17-,25-18+.
What are the key properties of N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide?
N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide has a molecular weight of 387.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzamide is sourced from PubChem (CID 6903536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).