N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide

C17H19N3O3 — CID 9179733

IUPACN'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
SMILESC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1cc(C)oc1C
InChIInChI=1S/C17H19N3O3/c1-10-5-7-14(8-6-10)18-16(21)17(22)20-19-12(3)15-9-11(2)23-13(15)4/h5-9H,1-4H3,(H,18,21)(H,20,22)/b19-12-
InChIKeyTWBYTQRSIWLFMM-UNOMPAQXSA-N
MW313.36 g/mol
LogP2.68
Rot. Bonds3

About N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide

N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 9179733) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID9179733
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
SMILESC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1cc(C)oc1C
InChIInChI=1S/C17H19N3O3/c1-10-5-7-14(8-6-10)18-16(21)17(22)20-19-12(3)15-9-11(2)23-13(15)4/h5-9H,1-4H3,(H,18,21)(H,20,22)/b19-12-
InChIKeyTWBYTQRSIWLFMM-UNOMPAQXSA-N
XLogP2.68
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.68
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

N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide
CID 9120771
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9155868
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
CID 9016562
N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 135574728
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9156010
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide
CID 9155525
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide (CID 9179733) is N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide is C/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1cc(C)oc1C.
What is the InChIKey of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is TWBYTQRSIWLFMM-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-5-7-14(8-6-10)18-16(21)17(22)20-19-12(3)15-9-11(2)23-13(15)4/h5-9H,1-4H3,(H,18,21)(H,20,22)/b19-12-.
What are the key properties of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 313.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9179733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).