3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide

C14H20N2O3 — CID 77003549

IUPAC3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide
SMILESCC(=NO)c1ccc(C)cc1OCCC(=O)N(C)C
InChIInChI=1S/C14H20N2O3/c1-10-5-6-12(11(2)15-18)13(9-10)19-8-7-14(17)16(3)4/h5-6,9,18H,7-8H2,1-4H3
InChIKeyUXSLWQGBONLFJL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.05
Rot. Bonds5

About 3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide

3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide (PubChem CID 77003549) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide
PubChem CID77003549
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide
SMILESCC(=NO)c1ccc(C)cc1OCCC(=O)N(C)C
InChIInChI=1S/C14H20N2O3/c1-10-5-6-12(11(2)15-18)13(9-10)19-8-7-14(17)16(3)4/h5-6,9,18H,7-8H2,1-4H3
InChIKeyUXSLWQGBONLFJL-UHFFFAOYSA-N
XLogP2.05
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
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

3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 54878942
N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 77003544
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol
CID 77003699
(NE)-N-[1-[2-(3-ethylsulfanylpropoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 113473665
(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725537
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 55246301
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-N-propan-2-ylacetamide
CID 55245922
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63366501
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
CID 77003568
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 77003482

Frequently Asked Questions

What is the IUPAC name of 3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide (CID 77003549) is 3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide is CC(=NO)c1ccc(C)cc1OCCC(=O)N(C)C.
What is the InChIKey of 3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide?
The InChIKey is UXSLWQGBONLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-6-12(11(2)15-18)13(9-10)19-8-7-14(17)16(3)4/h5-6,9,18H,7-8H2,1-4H3.
What are the key properties of 3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide?
3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 77003549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).