4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide

C18H22N4O — CID 6898921

IUPAC4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N4O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4,19H2,1-2H3,(H,21,23)/b20-13+
InChIKeyWBNPZDJIFBDPOL-DEDYPNTBSA-N
MW310.40 g/mol
LogP2.88
Rot. Bonds6

About 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide

4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide (PubChem CID 6898921) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
PubChem CID6898921
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N4O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4,19H2,1-2H3,(H,21,23)/b20-13+
InChIKeyWBNPZDJIFBDPOL-DEDYPNTBSA-N
XLogP2.88
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(E)-[4-(diethylamino)phenyl]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-(Diethylamino)benzohydrazide
CID 2063864
N'-[4-(diethylamino)benzylidene]benzohydrazide
CID 6870927
N'-butyl-4-(dimethylamino)benzohydrazide
CID 71306440
3-(Benzoyl-hydrazono)-2-hydroxyimino-N-phenyl-butyramide
CID 135616984
3-fluoro-N'-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide
CID 135458748
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
4-(anilinomethyl)-1(2H)-phthalazinone
CID 1482294
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-(4-{[2-(5-isopropenyl-2-methylcyclohex-2-en-1-ylidene)hydrazino]carbonyl}phenyl)-3-methylbenzamide
CID 9653017
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
2,2-dimethyl-N-{4-[N-(phenylcarbonylamino)carbamoyl]phenyl}propanamide
CID 815570

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide (CID 6898921) is 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is WBNPZDJIFBDPOL-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4,19H2,1-2H3,(H,21,23)/b20-13+.
What are the key properties of 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6898921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).