N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide

C18H18N4O4 — CID 6020436

IUPACN-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
SMILESC/C(=N/NC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C18H18N4O4/c1-13(14-5-3-2-4-6-14)20-21-18(24)12-11-17(23)19-15-7-9-16(10-8-15)22(25)26/h2-10H,11-12H2,1H3,(H,19,23)(H,21,24)/b20-13-
InChIKeyHYXBHTJXSCGDPQ-MOSHPQCFSA-N
MW354.37 g/mol
LogP2.85
Rot. Bonds7

About N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide

N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide (PubChem CID 6020436) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
PubChem CID6020436
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
SMILESC/C(=N/NC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C18H18N4O4/c1-13(14-5-3-2-4-6-14)20-21-18(24)12-11-17(23)19-15-7-9-16(10-8-15)22(25)26/h2-10H,11-12H2,1H3,(H,19,23)(H,21,24)/b20-13-
InChIKeyHYXBHTJXSCGDPQ-MOSHPQCFSA-N
XLogP2.85
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
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-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide 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-(3-nitrophenyl)ethylideneamino]-N-phenylbutanediamide
CID 3495200
N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 6067598
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 5254130
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-4-oxobutanoic acid
CID 3478000
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 3352206
2,2,2-trifluoro-N-[4-[(E)-C-methyl-N-[[2-(4-nitrophenyl)acetyl]amino]carbonimidoyl]phenyl]acetamide
CID 7114942
2,2,2-trifluoro-N-[4-[C-methyl-N-[[2-(4-nitrophenyl)acetyl]amino]carbonimidoyl]phenyl]acetamide
CID 3429215

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide?
The IUPAC name of N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide (CID 6020436) is N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide.
What is the SMILES notation for N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide?
The canonical SMILES for N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide is C/C(=N/NC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide?
The InChIKey is HYXBHTJXSCGDPQ-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-13(14-5-3-2-4-6-14)20-21-18(24)12-11-17(23)19-15-7-9-16(10-8-15)22(25)26/h2-10H,11-12H2,1H3,(H,19,23)(H,21,24)/b20-13-.
What are the key properties of N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide?
N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide has a molecular weight of 354.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide is sourced from PubChem (CID 6020436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).