2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide

C13H17N2O4- — CID 59689046

IUPAC2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide
SMILESCC(=O)OCc1ccc(NC(=O)COCC[NH-])cc1
InChIInChI=1S/C13H17N2O4/c1-10(16)19-8-11-2-4-12(5-3-11)15-13(17)9-18-7-6-14/h2-5,14H,6-9H2,1H3,(H,15,17)/q-1
InChIKeyQSRKOKBONDJTTJ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.76
Rot. Bonds7

About 2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide

2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide (PubChem CID 59689046) has the molecular formula C13H17N2O4- and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide.

Molecular Properties

Compound Name2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide
PubChem CID59689046
Molecular FormulaC13H17N2O4-
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide
SMILESCC(=O)OCc1ccc(NC(=O)COCC[NH-])cc1
InChIInChI=1S/C13H17N2O4/c1-10(16)19-8-11-2-4-12(5-3-11)15-13(17)9-18-7-6-14/h2-5,14H,6-9H2,1H3,(H,15,17)/q-1
InChIKeyQSRKOKBONDJTTJ-UHFFFAOYSA-N
XLogP1.76
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
(4-hydrazinylphenyl)methyl acetate
CID 123892480
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
CID 43275032
[4-[4-(propan-2-ylamino)butanoylamino]phenyl]methyl acetate
CID 144997484
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
[2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate
CID 86691876
N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
[4-[2-[(2-aminoacetyl)amino]propanoylamino]phenyl]methyl acetate
CID 178169223
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
potassium [4-(acetyloxymethyl)phenyl]azanide
CID 177177546

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide?
The IUPAC name of 2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide (CID 59689046) is 2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide.
What is the SMILES notation for 2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide?
The canonical SMILES for 2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide is CC(=O)OCc1ccc(NC(=O)COCC[NH-])cc1.
What is the InChIKey of 2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide?
The InChIKey is QSRKOKBONDJTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2O4/c1-10(16)19-8-11-2-4-12(5-3-11)15-13(17)9-18-7-6-14/h2-5,14H,6-9H2,1H3,(H,15,17)/q-1.
What are the key properties of 2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide?
2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide has a molecular weight of 265.29 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide is sourced from PubChem (CID 59689046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).