N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide

C12H18N4O2 — CID 98573396

IUPACN,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide
SMILESC/C=C(C)\C=N\NC(=O)C(=O)N/N=C/C(C)=C\C
InChIInChI=1S/C12H18N4O2/c1-5-9(3)7-13-15-11(17)12(18)16-14-8-10(4)6-2/h5-8H,1-4H3,(H,15,17)(H,16,18)/b9-5-,10-6-,13-7+,14-8+
InChIKeySZKAQMJZPFCRES-BFZMQSMVSA-N
MW250.30 g/mol
LogP1.12
Rot. Bonds4

About N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide

N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide (PubChem CID 98573396) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide
PubChem CID98573396
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide
SMILESC/C=C(C)\C=N\NC(=O)C(=O)N/N=C/C(C)=C\C
InChIInChI=1S/C12H18N4O2/c1-5-9(3)7-13-15-11(17)12(18)16-14-8-10(4)6-2/h5-8H,1-4H3,(H,15,17)(H,16,18)/b9-5-,10-6-,13-7+,14-8+
InChIKeySZKAQMJZPFCRES-BFZMQSMVSA-N
XLogP1.12
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1,3-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]thiourea
CID 93032930
N-[(E)-2-oxopropylideneamino]acetamide
CID 59676388
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 9352240
[(E)-2-oxopropylideneamino]urea
CID 13238217
N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 99907772
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]-N-naphthalen-1-yloxamide
CID 3350985
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 45054187
N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide
CID 45054176
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
4-(acetylhydrazinylidene)-3-oxobutanoic acid
CID 141163913
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide?
The IUPAC name of N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide (CID 98573396) is N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide?
The canonical SMILES for N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide is C/C=C(C)\C=N\NC(=O)C(=O)N/N=C/C(C)=C\C.
What is the InChIKey of N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide?
The InChIKey is SZKAQMJZPFCRES-BFZMQSMVSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-5-9(3)7-13-15-11(17)12(18)16-14-8-10(4)6-2/h5-8H,1-4H3,(H,15,17)(H,16,18)/b9-5-,10-6-,13-7+,14-8+.
What are the key properties of N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide?
N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide has a molecular weight of 250.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-[(Z)-2-methylbut-2-enylidene]amino]oxamide is sourced from PubChem (CID 98573396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).