N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

C24H26N4O3 — CID 6889314

IUPACN'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H26N4O3/c29-23(25-10-5-11-28-12-14-31-15-13-28)24(30)27-26-17-22-20-8-3-1-6-18(20)16-19-7-2-4-9-21(19)22/h1-4,6-9,16-17H,5,10-15H2,(H,25,29)(H,27,30)/b26-17+
InChIKeyWTZGJHZKBDIETO-YZSQISJMSA-N
MW418.50 g/mol
LogP2.28
Rot. Bonds6

About N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 6889314) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID6889314
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H26N4O3/c29-23(25-10-5-11-28-12-14-31-15-13-28)24(30)27-26-17-22-20-8-3-1-6-18(20)16-19-7-2-4-9-21(19)22/h1-4,6-9,16-17H,5,10-15H2,(H,25,29)(H,27,30)/b26-17+
InChIKeyWTZGJHZKBDIETO-YZSQISJMSA-N
XLogP2.28
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide 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

N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 6881453
2-(4-morpholinyl)-N'-(1-naphthylmethylene)acetohydrazide
CID 6894999
N-[3-(morpholin-4-yl)propyl]-2-oxo-2-{(2E)-2-[4-(propan-2-yl)benzylidene]hydrazinyl}acetamide
CID 6889705
2-[(2E)-2-(4-tert-butylbenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9635663
4-Morpholineacetic acid, ((2,3,5,6-tetramethylphenyl)methylene)hydrazide
CID 9588178
4-Morpholineacetic acid, 2-(1-naphthylmethylene)hydrazide, hydrochloride
CID 9588182
4-Morpholineacetic acid, 2-(2-naphthylmethylene)hydrazide, hydrochloride
CID 9588190
2-[(2E)-2-(4-ethylbenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 6889659
2-(N'-Anthracen-9-ylmethylene-hydrazino)-N-cyclopropyl-2-oxo-acetamide
CID 9599899
Piperidin-1-yl-acetic, acid anthracen-9-ylmethylene-hydrazide
CID 9556755
2-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 789420
Morpholin-4-ylacetic acid anthracen-9-ylmethylene hydrazide
CID 85039379

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 6889314) is N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is WTZGJHZKBDIETO-YZSQISJMSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(25-10-5-11-28-12-14-31-15-13-28)24(30)27-26-17-22-20-8-3-1-6-18(20)16-19-7-2-4-9-21(19)22/h1-4,6-9,16-17H,5,10-15H2,(H,25,29)(H,27,30)/b26-17+.
What are the key properties of N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 418.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 6889314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).