(2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide

C15H20N2O3 — CID 59421110

IUPAC(2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide
SMILESCNC(=O)/C(Cc1ccccc1)=N\OC1CCCCO1
InChIInChI=1S/C15H20N2O3/c1-16-15(18)13(11-12-7-3-2-4-8-12)17-20-14-9-5-6-10-19-14/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,16,18)/b17-13-
InChIKeyNBJNDJGZMBGBBH-LGMDPLHJSA-N
MW276.34 g/mol
LogP1.87
Rot. Bonds5

About (2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide

(2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide (PubChem CID 59421110) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide.

Molecular Properties

Compound Name(2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide
PubChem CID59421110
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide
SMILESCNC(=O)/C(Cc1ccccc1)=N\OC1CCCCO1
InChIInChI=1S/C15H20N2O3/c1-16-15(18)13(11-12-7-3-2-4-8-12)17-20-14-9-5-6-10-19-14/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,16,18)/b17-13-
InChIKeyNBJNDJGZMBGBBH-LGMDPLHJSA-N
XLogP1.87
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-benzylsulfonyl-N-(oxan-2-yloxy)methanimidothioate
CID 142626930
(2E)-3-(3-bromo-4-hydroxyphenyl)-N-[2-[2-[[(2E)-3-(3-bromo-4-hydroxyphenyl)-2-(oxan-2-yloxyimino)propanoyl]amino]ethyldisulfanyl]ethyl]-2-(oxan-2-yloxyimino)propanamide
CID 11764341
4-methyl-2-(oxan-2-yloxyimino)pentanoic acid
CID 54004954
methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
oxan-2-yl 3-phenylpropanoate
CID 10609743
bis(oxan-2-yl) 2-benzylpropanedioate
CID 14723470
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 131720683
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate
CID 138107737
but-3-en-2-yl (E)-N-(oxan-2-yloxy)benzenecarboximidate
CID 11076663
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide?
The IUPAC name of (2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide (CID 59421110) is (2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide.
What is the SMILES notation for (2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide?
The canonical SMILES for (2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide is CNC(=O)/C(Cc1ccccc1)=N\OC1CCCCO1.
What is the InChIKey of (2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide?
The InChIKey is NBJNDJGZMBGBBH-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16-15(18)13(11-12-7-3-2-4-8-12)17-20-14-9-5-6-10-19-14/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,16,18)/b17-13-.
What are the key properties of (2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide?
(2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide is sourced from PubChem (CID 59421110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).