N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide

C14H19N3O3 — CID 9351436

IUPACN'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
SMILESCOc1ccccc1/C(C)=N\NC(=O)C(=O)NC(C)C
InChIInChI=1S/C14H19N3O3/c1-9(2)15-13(18)14(19)17-16-10(3)11-7-5-6-8-12(11)20-4/h5-9H,1-4H3,(H,15,18)(H,17,19)/b16-10-
InChIKeyPNGCZVOCNLKFSO-YBEGLDIGSA-N
MW277.32 g/mol
LogP1.06
Rot. Bonds4

About N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide

N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide (PubChem CID 9351436) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
PubChem CID9351436
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
SMILESCOc1ccccc1/C(C)=N\NC(=O)C(=O)NC(C)C
InChIInChI=1S/C14H19N3O3/c1-9(2)15-13(18)14(19)17-16-10(3)11-7-5-6-8-12(11)20-4/h5-9H,1-4H3,(H,15,18)(H,17,19)/b16-10-
InChIKeyPNGCZVOCNLKFSO-YBEGLDIGSA-N
XLogP1.06
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.06
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-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9352050
N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 135575852
1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 4317161
N'-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351520
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
[2-[N-[[2-(3,5-dimethylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 2-methoxybenzoate
CID 4111127
2-[2-methoxy-5-[(Z)-C-methyl-N-[[2-oxo-2-(propan-2-ylamino)acetyl]amino]carbonimidoyl]phenyl]acetate
CID 9351645
[2-[N-[[2-(2-methoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] benzoate
CID 4085294
[2-[(E)-N-[[2-(4-carbamoylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 2-methoxybenzoate
CID 19661490
[2-[N-[[2-(2,4-dimethylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 2-methoxybenzoate
CID 4536105
4-amino-3,5,6-trichloro-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]pyridin-1-ium-2-carboxamide
CID 135830115

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide (CID 9351436) is N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide is COc1ccccc1/C(C)=N\NC(=O)C(=O)NC(C)C.
What is the InChIKey of N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide?
The InChIKey is PNGCZVOCNLKFSO-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)15-13(18)14(19)17-16-10(3)11-7-5-6-8-12(11)20-4/h5-9H,1-4H3,(H,15,18)(H,17,19)/b16-10-.
What are the key properties of N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide has a molecular weight of 277.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9351436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).