N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide

C13H18ClN3O3 — CID 77044875

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)N(CC(N)=NO)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O3/c1-9(2)17(7-12(15)16-19)13(18)8-20-11-5-3-10(14)4-6-11/h3-6,9,19H,7-8H2,1-2H3,(H2,15,16)
InChIKeyOYYHYKCNMGIULN-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.70
Rot. Bonds6

About N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide

N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide (PubChem CID 77044875) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide
PubChem CID77044875
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)N(CC(N)=NO)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O3/c1-9(2)17(7-12(15)16-19)13(18)8-20-11-5-3-10(14)4-6-11/h3-6,9,19H,7-8H2,1-2H3,(H2,15,16)
InChIKeyOYYHYKCNMGIULN-UHFFFAOYSA-N
XLogP1.70
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.70
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-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide
CID 68818842
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide
CID 42733515
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide
CID 61093485
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4239351
N-(2-bromoethyl)-2-(4-chlorophenoxy)-N-pentan-3-ylacetamide
CID 80670803
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911221
2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide
CID 77073414
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 60831363
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-bromo-3-chloro-N-propan-2-ylbenzamide
CID 81307916
2-(4-chlorophenoxy)-N-(4-methoxyphenyl)acetohydrazide
CID 163509592

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide (CID 77044875) is N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide is CC(C)N(CC(N)=NO)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide?
The InChIKey is OYYHYKCNMGIULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-9(2)17(7-12(15)16-19)13(18)8-20-11-5-3-10(14)4-6-11/h3-6,9,19H,7-8H2,1-2H3,(H2,15,16).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide?
N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide has a molecular weight of 299.76 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 77044875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).