4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide

C25H25N3O3 — CID 1361849

IUPAC4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(Oc2ccccc2)c1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H25N3O3/c29-25(22-11-9-20(10-12-22)19-28-13-15-30-16-14-28)27-26-18-21-5-4-8-24(17-21)31-23-6-2-1-3-7-23/h1-12,17-18H,13-16,19H2,(H,27,29)
InChIKeyWYMIWFZWPICLDV-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.07
Rot. Bonds7

About 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide

4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 1361849) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID1361849
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(Oc2ccccc2)c1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H25N3O3/c29-25(22-11-9-20(10-12-22)19-28-13-15-30-16-14-28)27-26-18-21-5-4-8-24(17-21)31-23-6-2-1-3-7-23/h1-12,17-18H,13-16,19H2,(H,27,29)
InChIKeyWYMIWFZWPICLDV-UHFFFAOYSA-N
XLogP4.07
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 3665630
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 94838624
N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3647150
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 1249248
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3722316
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea
CID 7934173
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6181128
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide
CID 145127992

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide (CID 1361849) is 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is WYMIWFZWPICLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-25(22-11-9-20(10-12-22)19-28-13-15-30-16-14-28)27-26-18-21-5-4-8-24(17-21)31-23-6-2-1-3-7-23/h1-12,17-18H,13-16,19H2,(H,27,29).
What are the key properties of 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 1361849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).