N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide

C22H27N3O3 — CID 6156574

IUPACN-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-3-28-21-10-8-19(9-11-21)17(2)23-24-22(26)20-6-4-18(5-7-20)16-25-12-14-27-15-13-25/h4-11H,3,12-16H2,1-2H3,(H,24,26)/b23-17-
InChIKeyFTHBXHILLJJOJG-QJOMJCCJSA-N
MW381.48 g/mol
LogP3.07
Rot. Bonds7

About N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide

N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 6156574) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID6156574
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-3-28-21-10-8-19(9-11-21)17(2)23-24-22(26)20-6-4-18(5-7-20)16-25-12-14-27-15-13-25/h4-11H,3,12-16H2,1-2H3,(H,24,26)/b23-17-
InChIKeyFTHBXHILLJJOJG-QJOMJCCJSA-N
XLogP3.07
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.07
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 N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)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

N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 4268320
N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3647150
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 5441748
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 979170
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 3656124
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 92662299
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-ethoxybenzamide
CID 3420877

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide (CID 6156574) is N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide is CCOc1ccc(/C(C)=N\NC(=O)c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is FTHBXHILLJJOJG-QJOMJCCJSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-28-21-10-8-19(9-11-21)17(2)23-24-22(26)20-6-4-18(5-7-20)16-25-12-14-27-15-13-25/h4-11H,3,12-16H2,1-2H3,(H,24,26)/b23-17-.
What are the key properties of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 6156574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).