N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide

C13H19N3O3 — CID 76928336

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide
SMILESCC(C(N)=NO)N(C)C(=O)CCOc1ccccc1
InChIInChI=1S/C13H19N3O3/c1-10(13(14)15-18)16(2)12(17)8-9-19-11-6-4-3-5-7-11/h3-7,10,18H,8-9H2,1-2H3,(H2,14,15)
InChIKeyZGAWTKZKCQLOSV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.05
Rot. Bonds6

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide (PubChem CID 76928336) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide
PubChem CID76928336
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide
SMILESCC(C(N)=NO)N(C)C(=O)CCOc1ccccc1
InChIInChI=1S/C13H19N3O3/c1-10(13(14)15-18)16(2)12(17)8-9-19-11-6-4-3-5-7-11/h3-7,10,18H,8-9H2,1-2H3,(H2,14,15)
InChIKeyZGAWTKZKCQLOSV-UHFFFAOYSA-N
XLogP1.05
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
CID 76946952
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide
CID 76977885
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
N'-hydroxy-2-methyl-3-[methyl(2-phenoxyethyl)amino]propanimidamide
CID 76914446
2-[methyl-[3-(4-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119208995
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide
CID 76928101
2-[methyl-[3-(4-methylsulfonylphenoxy)propanoyl]amino]propanoic acid
CID 119358763
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide
CID 103940460
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide (CID 76928336) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide is CC(C(N)=NO)N(C)C(=O)CCOc1ccccc1.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide?
The InChIKey is ZGAWTKZKCQLOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(13(14)15-18)16(2)12(17)8-9-19-11-6-4-3-5-7-11/h3-7,10,18H,8-9H2,1-2H3,(H2,14,15).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide has a molecular weight of 265.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide is sourced from PubChem (CID 76928336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).