2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide

C12H16N2O3 — CID 43117252

IUPAC2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C12H16N2O3/c1-8(14-16)10-4-6-11(7-5-10)17-9(2)12(15)13-3/h4-7,9,16H,1-3H3,(H,13,15)/b14-8+
InChIKeyZURTWZVLHDKTFD-RIYZIHGNSA-N
MW236.27 g/mol
LogP1.40
Rot. Bonds4

About 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide

2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide (PubChem CID 43117252) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide
PubChem CID43117252
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C12H16N2O3/c1-8(14-16)10-4-6-11(7-5-10)17-9(2)12(15)13-3/h4-7,9,16H,1-3H3,(H,13,15)/b14-8+
InChIKeyZURTWZVLHDKTFD-RIYZIHGNSA-N
XLogP1.40
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide
CID 7240366
N-methyl-2-phenoxypropanamide
CID 4626974
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 26906168
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
2-(4-carbamothioylphenoxy)-N-(methylcarbamoyl)propanamide
CID 43116873
(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
CID 1222649
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide (CID 43117252) is 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1ccc(/C(C)=N/O)cc1.
What is the InChIKey of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide?
The InChIKey is ZURTWZVLHDKTFD-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(14-16)10-4-6-11(7-5-10)17-9(2)12(15)13-3/h4-7,9,16H,1-3H3,(H,13,15)/b14-8+.
What are the key properties of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide?
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide has a molecular weight of 236.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 43117252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).