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

C20H22N4O5 — CID 6067598

IUPACN-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H22N4O5/c1-3-29-18-10-6-16(7-11-18)21-19(25)12-13-20(26)23-22-14(2)15-4-8-17(9-5-15)24(27)28/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,23,26)/b22-14-
InChIKeyKSVLLAVAEXXICI-HMAPJEAMSA-N
MW398.42 g/mol
LogP3.25
Rot. Bonds9

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

N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide (PubChem CID 6067598) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
PubChem CID6067598
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC NameN-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H22N4O5/c1-3-29-18-10-6-16(7-11-18)21-19(25)12-13-20(26)23-22-14(2)15-4-8-17(9-5-15)24(27)28/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,23,26)/b22-14-
InChIKeyKSVLLAVAEXXICI-HMAPJEAMSA-N
XLogP3.25
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6020436
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7311322
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909337
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 6368206
5-chloro-N-[4-[(Z)-C-methyl-N-[[2-(4-nitrophenoxy)acetyl]amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6028075
ethyl 4-[4-(4-nitrophenoxy)butanoylamino]benzoate
CID 142721835
N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 5254130

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide (CID 6067598) is N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide is CCOc1ccc(NC(=O)CCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide?
The InChIKey is KSVLLAVAEXXICI-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-3-29-18-10-6-16(7-11-18)21-19(25)12-13-20(26)23-22-14(2)15-4-8-17(9-5-15)24(27)28/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,23,26)/b22-14-.
What are the key properties of N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide?
N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide has a molecular weight of 398.42 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide is sourced from PubChem (CID 6067598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).