N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide

C13H17N3O2 — CID 39388462

IUPACN-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
SMILESCCNC(=O)C(=O)N/N=C\c1ccc(CC)cc1
InChIInChI=1S/C13H17N3O2/c1-3-10-5-7-11(8-6-10)9-15-16-13(18)12(17)14-4-2/h5-9H,3-4H2,1-2H3,(H,14,17)(H,16,18)/b15-9-
InChIKeyYTLHKJLGHKUSAE-DHDCSXOGSA-N
MW247.30 g/mol
LogP0.84
Rot. Bonds4

About N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide

N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide (PubChem CID 39388462) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
PubChem CID39388462
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
SMILESCCNC(=O)C(=O)N/N=C\c1ccc(CC)cc1
InChIInChI=1S/C13H17N3O2/c1-3-10-5-7-11(8-6-10)9-15-16-13(18)12(17)14-4-2/h5-9H,3-4H2,1-2H3,(H,14,17)(H,16,18)/b15-9-
InChIKeyYTLHKJLGHKUSAE-DHDCSXOGSA-N
XLogP0.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 40538842
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide
CID 40538841
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide
CID 21212730
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
CID 94848692
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368486
[(4-ethylphenyl)methylideneamino]thiourea
CID 724608
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8902259
1-[(E)-(4-ethylphenyl)methylideneamino]-3-methylthiourea
CID 7575221

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide?
The IUPAC name of N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide (CID 39388462) is N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide is CCNC(=O)C(=O)N/N=C\c1ccc(CC)cc1.
What is the InChIKey of N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide?
The InChIKey is YTLHKJLGHKUSAE-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-10-5-7-11(8-6-10)9-15-16-13(18)12(17)14-4-2/h5-9H,3-4H2,1-2H3,(H,14,17)(H,16,18)/b15-9-.
What are the key properties of N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide?
N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide has a molecular weight of 247.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 39388462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).