N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide

C15H21N3O3 — CID 3873637

IUPACN'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide
SMILESCOc1ccc(CC(C)=NNC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H21N3O3/c1-10(2)16-14(19)15(20)18-17-11(3)9-12-5-7-13(21-4)8-6-12/h5-8,10H,9H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyOEBXURDUFSPMNA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.25
Rot. Bonds5

About N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide

N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide (PubChem CID 3873637) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide
PubChem CID3873637
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide
SMILESCOc1ccc(CC(C)=NNC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H21N3O3/c1-10(2)16-14(19)15(20)18-17-11(3)9-12-5-7-13(21-4)8-6-12/h5-8,10H,9H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyOEBXURDUFSPMNA-UHFFFAOYSA-N
XLogP1.25
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.25
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-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
CID 9120892
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 9234745
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 135575852
2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 7937148
N'-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351520
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 6370873
3-iodo-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 3923844
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 2519882

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide (CID 3873637) is N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide is COc1ccc(CC(C)=NNC(=O)C(=O)NC(C)C)cc1.
What is the InChIKey of N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide?
The InChIKey is OEBXURDUFSPMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)16-14(19)15(20)18-17-11(3)9-12-5-7-13(21-4)8-6-12/h5-8,10H,9H2,1-4H3,(H,16,19)(H,18,20).
What are the key properties of N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide?
N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide has a molecular weight of 291.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 3873637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).