N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide

C14H19N3O2 — CID 40538841

IUPACN'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCCc1ccc(/C=N\NC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C14H19N3O2/c1-4-11-5-7-12(8-6-11)9-15-17-14(19)13(18)16-10(2)3/h5-10H,4H2,1-3H3,(H,16,18)(H,17,19)/b15-9-
InChIKeyHLMFVCUVYZFEJZ-DHDCSXOGSA-N
MW261.32 g/mol
LogP1.22
Rot. Bonds4

About N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide (PubChem CID 40538841) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide
PubChem CID40538841
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCCc1ccc(/C=N\NC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C14H19N3O2/c1-4-11-5-7-12(8-6-11)9-15-17-14(19)13(18)16-10(2)3/h5-10H,4H2,1-3H3,(H,16,18)(H,17,19)/b15-9-
InChIKeyHLMFVCUVYZFEJZ-DHDCSXOGSA-N
XLogP1.22
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.22
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-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
CID 39388462
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6896236
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658895
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
N'-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351747
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368486
N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989195
N-[(Z)-(4-ethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 6087706

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide (CID 40538841) is N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide is CCc1ccc(/C=N\NC(=O)C(=O)NC(C)C)cc1.
What is the InChIKey of N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide?
The InChIKey is HLMFVCUVYZFEJZ-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-11-5-7-12(8-6-11)9-15-17-14(19)13(18)16-10(2)3/h5-10H,4H2,1-3H3,(H,16,18)(H,17,19)/b15-9-.
What are the key properties of N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide has a molecular weight of 261.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 40538841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).