N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide

C19H21N3O2 — CID 9646739

IUPACN-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)C1=CC=CC=C1)/C2=CC=C(C=C2)N3CCOCC3
InChIInChI=1S/C19H21N3O2/c1-15(20-21-19(23)17-5-3-2-4-6-17)16-7-9-18(10-8-16)22-11-13-24-14-12-22/h2-10H,11-14H2,1H3,(H,21,23)/b20-15+
InChIKeyHJEJFNWWUNIBLV-HMMYKYKNSA-N
MW323.40 g/mol
LogP2.80
Rot. Bonds4

About N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide

N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide (PubChem CID 9646739) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide
PubChem CID9646739
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)C1=CC=CC=C1)/C2=CC=C(C=C2)N3CCOCC3
InChIInChI=1S/C19H21N3O2/c1-15(20-21-19(23)17-5-3-2-4-6-17)16-7-9-18(10-8-16)22-11-13-24-14-12-22/h2-10H,11-14H2,1H3,(H,21,23)/b20-15+
InChIKeyHJEJFNWWUNIBLV-HMMYKYKNSA-N
XLogP2.80
TPSA53.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity432

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}benzohydrazide
CID 6861475
N-{4-[(4S)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}benzamide
CID 23647043
N-(6-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-oxohexyl)benzamide
CID 5839600
N-[(1E)-2-(4-aminophenyl)-1-azaprop-1-enyl][3-(2-oxopyrrolidinyl)phenyl]carbox amide
CID 9585520
3-(2-oxo-1-pyrrolidinyl)-N'-(1-phenylethylidene)benzohydrazide
CID 9590201
N'-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-4-(4-morpholinylmethyl)benzohydrazide
CID 5345178
N-[4-(4-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenyl]benzamide
CID 45489076
4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide
CID 122601076
N'-[4-(diethylamino)benzylidene]benzohydrazide
CID 6870927
Dnmdp-3
CID 71576758
N-[5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2-(4-morpholinyl)phenyl]butanamide
CID 1308958

Frequently Asked Questions

What is the IUPAC name of N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide?
The IUPAC name of N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide (CID 9646739) is N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide?
The canonical SMILES for N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide is C/C(=N\NC(=O)C1=CC=CC=C1)/C2=CC=C(C=C2)N3CCOCC3.
What is the InChIKey of N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide?
The InChIKey is HJEJFNWWUNIBLV-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(20-21-19(23)17-5-3-2-4-6-17)16-7-9-18(10-8-16)22-11-13-24-14-12-22/h2-10H,11-14H2,1H3,(H,21,23)/b20-15+.
What are the key properties of N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide?
N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide has a molecular weight of 323.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}benzohydrazide is sourced from PubChem (CID 9646739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).