N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide

C11H15N3O3 — CID 76934963

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCC(N)=NO)c1ccccc1
InChIInChI=1S/C11H15N3O3/c1-17-10(8-5-3-2-4-6-8)11(15)13-7-9(12)14-16/h2-6,10,16H,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyUZRJULHAENUJMD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.24
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide

N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide (PubChem CID 76934963) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide
PubChem CID76934963
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCC(N)=NO)c1ccccc1
InChIInChI=1S/C11H15N3O3/c1-17-10(8-5-3-2-4-6-8)11(15)13-7-9(12)14-16/h2-6,10,16H,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyUZRJULHAENUJMD-UHFFFAOYSA-N
XLogP0.24
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
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

(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
2-methoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 60589002
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
N-(2-amino-2-oxoethoxy)-2-methoxy-2-phenylacetamide
CID 112551118
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
2-[[(2-methoxy-2-phenylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65219999
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide
CID 106308008

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide (CID 76934963) is N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide is COC(C(=O)NCC(N)=NO)c1ccccc1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide?
The InChIKey is UZRJULHAENUJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-10(8-5-3-2-4-6-8)11(15)13-7-9(12)14-16/h2-6,10,16H,7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide?
N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide has a molecular weight of 237.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 76934963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).