N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide

C11H15N3O4 — CID 61277783

IUPACN-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OCC(N)=NO)cc1
InChIInChI=1S/C11H15N3O4/c1-17-7-11(15)13-8-2-4-9(5-3-8)18-6-10(12)14-16/h2-5,16H,6-7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyQJLDBHLNAPXRJI-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.40
Rot. Bonds6

About N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide

N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide (PubChem CID 61277783) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide
PubChem CID61277783
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OCC(N)=NO)cc1
InChIInChI=1S/C11H15N3O4/c1-17-7-11(15)13-8-2-4-9(5-3-8)18-6-10(12)14-16/h2-5,16H,6-7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyQJLDBHLNAPXRJI-UHFFFAOYSA-N
XLogP0.40
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide
CID 61277576
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide
CID 114822665
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-[(2E)-2-amino-2-hydroxyiminoethoxy]phenyl]-2-bromofuran-3-carboxamide
CID 106855744
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide (CID 61277783) is N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(OCC(N)=NO)cc1.
What is the InChIKey of N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide?
The InChIKey is QJLDBHLNAPXRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-7-11(15)13-8-2-4-9(5-3-8)18-6-10(12)14-16/h2-5,16H,6-7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide?
N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide has a molecular weight of 253.26 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 61277783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).