N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide

C23H22N4O3 — CID 110506592

IUPACN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide
SMILESCCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H22N4O3/c1-2-26(17-19-6-4-3-5-7-19)21-12-8-18(9-13-21)16-24-25-23(28)20-10-14-22(15-11-20)27(29)30/h3-16H,2,17H2,1H3,(H,25,28)/b24-16+
InChIKeyIIQUDQKIRZUZRU-LFVJCYFKSA-N
MW402.45 g/mol
LogP4.39
Rot. Bonds8

About N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide

N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide (PubChem CID 110506592) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide
PubChem CID110506592
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide
SMILESCCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H22N4O3/c1-2-26(17-19-6-4-3-5-7-19)21-12-8-18(9-13-21)16-24-25-23(28)20-10-14-22(15-11-20)27(29)30/h3-16H,2,17H2,1H3,(H,25,28)/b24-16+
InChIKeyIIQUDQKIRZUZRU-LFVJCYFKSA-N
XLogP4.39
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide 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-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 6901552
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide
CID 4281813
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 7966329
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]thiourea
CID 6902327
N-(benzylideneamino)-4-(diethylaminomethyl)benzamide
CID 165351037
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide (CID 110506592) is N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide is CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide?
The InChIKey is IIQUDQKIRZUZRU-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-2-26(17-19-6-4-3-5-7-19)21-12-8-18(9-13-21)16-24-25-23(28)20-10-14-22(15-11-20)27(29)30/h3-16H,2,17H2,1H3,(H,25,28)/b24-16+.
What are the key properties of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide?
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide has a molecular weight of 402.45 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 110506592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).