N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide

C18H16N6O6 — CID 6310047

IUPACN,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(=O)N/N=C(/C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H16N6O6/c1-11(13-5-3-7-15(9-13)23(27)28)19-21-17(25)18(26)22-20-12(2)14-6-4-8-16(10-14)24(29)30/h3-10H,1-2H3,(H,21,25)(H,22,26)/b19-11-,20-12-
InChIKeyPNPOENJKMLPSDP-YZLQMOBTSA-N
MW412.36 g/mol
LogP1.88
Rot. Bonds6

About N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide

N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide (PubChem CID 6310047) has the molecular formula C18H16N6O6 and a molecular weight of 412.36 g/mol. Its IUPAC name is N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
PubChem CID6310047
Molecular FormulaC18H16N6O6
Molecular Weight412.36 g/mol
Exact Mass412.11
IUPAC NameN,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(=O)N/N=C(/C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H16N6O6/c1-11(13-5-3-7-15(9-13)23(27)28)19-21-17(25)18(26)22-20-12(2)14-6-4-8-16(10-14)24(29)30/h3-10H,1-2H3,(H,21,25)(H,22,26)/b19-11-,20-12-
InChIKeyPNPOENJKMLPSDP-YZLQMOBTSA-N
XLogP1.88
TPSA169.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351495
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide
CID 3650302
[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 5391961
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-4-oxobutanoic acid
CID 3478000
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402036

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide?
The IUPAC name of N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide (CID 6310047) is N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide is C/C(=N/NC(=O)C(=O)N/N=C(/C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide?
The InChIKey is PNPOENJKMLPSDP-YZLQMOBTSA-N. The full InChI is InChI=1S/C18H16N6O6/c1-11(13-5-3-7-15(9-13)23(27)28)19-21-17(25)18(26)22-20-12(2)14-6-4-8-16(10-14)24(29)30/h3-10H,1-2H3,(H,21,25)(H,22,26)/b19-11-,20-12-.
What are the key properties of N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide?
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide has a molecular weight of 412.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide is sourced from PubChem (CID 6310047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).