N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide

C18H20N6O2 — CID 19685958

IUPACN,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)N/N=C(\C)c1cccc(N)c1)c1cccc(N)c1
InChIInChI=1S/C18H20N6O2/c1-11(13-5-3-7-15(19)9-13)21-23-17(25)18(26)24-22-12(2)14-6-4-8-16(20)10-14/h3-10H,19-20H2,1-2H3,(H,23,25)(H,24,26)/b21-11+,22-12+
InChIKeyWKYPTQJYKGMPPY-XHQRYOPUSA-N
MW352.40 g/mol
LogP1.23
Rot. Bonds4

About N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide

N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide (PubChem CID 19685958) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
PubChem CID19685958
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)N/N=C(\C)c1cccc(N)c1)c1cccc(N)c1
InChIInChI=1S/C18H20N6O2/c1-11(13-5-3-7-15(19)9-13)21-23-17(25)18(26)24-22-12(2)14-6-4-8-16(20)10-14/h3-10H,19-20H2,1-2H3,(H,23,25)(H,24,26)/b21-11+,22-12+
InChIKeyWKYPTQJYKGMPPY-XHQRYOPUSA-N
XLogP1.23
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
CID 9013147
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 16553710
4-[[(E)-1-(3-aminophenyl)ethylideneamino]carbamoylamino]butanoic acid
CID 16659031
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide (CID 19685958) is N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)N/N=C(\C)c1cccc(N)c1)c1cccc(N)c1.
What is the InChIKey of N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide?
The InChIKey is WKYPTQJYKGMPPY-XHQRYOPUSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11(13-5-3-7-15(19)9-13)21-23-17(25)18(26)24-22-12(2)14-6-4-8-16(20)10-14/h3-10H,19-20H2,1-2H3,(H,23,25)(H,24,26)/b21-11+,22-12+.
What are the key properties of N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide?
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide has a molecular weight of 352.40 g/mol, XLogP of 1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide is sourced from PubChem (CID 19685958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).