2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide

C15H22N2O3 — CID 43504967

IUPAC2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
SMILESC/C(=N\O)c1cc(C)ccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C15H22N2O3/c1-9(2)16-15(18)12(5)20-14-7-6-10(3)8-13(14)11(4)17-19/h6-9,12,19H,1-5H3,(H,16,18)/b17-11+
InChIKeyIBJUBWDRLOMFKG-GZTJUZNOSA-N
MW278.35 g/mol
LogP2.49
Rot. Bonds5

About 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide

2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide (PubChem CID 43504967) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
PubChem CID43504967
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
SMILESC/C(=N\O)c1cc(C)ccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C15H22N2O3/c1-9(2)16-15(18)12(5)20-14-7-6-10(3)8-13(14)11(4)17-19/h6-9,12,19H,1-5H3,(H,16,18)/b17-11+
InChIKeyIBJUBWDRLOMFKG-GZTJUZNOSA-N
XLogP2.49
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.49
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

N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide
CID 43504970
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504973
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 63367220
N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide
CID 77003528
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
N-[1-[2-(1-methoxypropan-2-yloxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77020729
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 63325896
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-N-propan-2-ylacetamide
CID 55245922
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9352050
(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569830
5-methyl-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 45301849

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide (CID 43504967) is 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide is C/C(=N\O)c1cc(C)ccc1OC(C)C(=O)NC(C)C.
What is the InChIKey of 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide?
The InChIKey is IBJUBWDRLOMFKG-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)16-15(18)12(5)20-14-7-6-10(3)8-13(14)11(4)17-19/h6-9,12,19H,1-5H3,(H,16,18)/b17-11+.
What are the key properties of 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide?
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 43504967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).