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

C14H19N3O4 — CID 7658901

IUPACN'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C14H19N3O4/c1-9(2)16-13(18)14(19)17-15-8-10-5-6-11(20-3)7-12(10)21-4/h5-9H,1-4H3,(H,16,18)(H,17,19)/b15-8-
InChIKeyAVVKEYLFOZLJNW-NVNXTCNLSA-N
MW293.32 g/mol
LogP0.68
Rot. Bonds5

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

N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide (PubChem CID 7658901) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
PubChem CID7658901
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C14H19N3O4/c1-9(2)16-13(18)14(19)17-15-8-10-5-6-11(20-3)7-12(10)21-4/h5-9H,1-4H3,(H,16,18)(H,17,19)/b15-8-
InChIKeyAVVKEYLFOZLJNW-NVNXTCNLSA-N
XLogP0.68
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 8899053
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4133149
4-bromo-N-[1-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 71833539
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide (CID 7658901) is N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide is COc1ccc(/C=N\NC(=O)C(=O)NC(C)C)c(OC)c1.
What is the InChIKey of N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
The InChIKey is AVVKEYLFOZLJNW-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)16-13(18)14(19)17-15-8-10-5-6-11(20-3)7-12(10)21-4/h5-9H,1-4H3,(H,16,18)(H,17,19)/b15-8-.
What are the key properties of N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide has a molecular weight of 293.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 7658901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).