N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide

C11H14N2O3 — CID 60732546

IUPACN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C(C)=NO)c1
InChIInChI=1S/C11H14N2O3/c1-8(13-15)9-4-3-5-10(6-9)12-11(14)7-16-2/h3-6,15H,7H2,1-2H3,(H,12,14)
InChIKeyFIIFZHUAYZKFEX-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.47
Rot. Bonds4

About N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide

N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide (PubChem CID 60732546) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide
PubChem CID60732546
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C(C)=NO)c1
InChIInChI=1S/C11H14N2O3/c1-8(13-15)9-4-3-5-10(6-9)12-11(14)7-16-2/h3-6,15H,7H2,1-2H3,(H,12,14)
InChIKeyFIIFZHUAYZKFEX-UHFFFAOYSA-N
XLogP1.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.47
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-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 24702333
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
CID 76942761
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015759
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 13119872
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107908815
2-benzamido-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46579689
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide (CID 60732546) is N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(C(C)=NO)c1.
What is the InChIKey of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide?
The InChIKey is FIIFZHUAYZKFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(13-15)9-4-3-5-10(6-9)12-11(14)7-16-2/h3-6,15H,7H2,1-2H3,(H,12,14).
What are the key properties of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide?
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide has a molecular weight of 222.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 60732546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).