2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide

C14H18N2O4 — CID 69277261

IUPAC2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide
SMILESNC(=O)CNCCOC1=COC(Cc2ccccc2)O1
InChIInChI=1S/C14H18N2O4/c15-12(17)9-16-6-7-18-14-10-19-13(20-14)8-11-4-2-1-3-5-11/h1-5,10,13,16H,6-9H2,(H2,15,17)
InChIKeyUEEVZHUZHGGROX-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.49
Rot. Bonds8

About 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide

2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide (PubChem CID 69277261) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide
PubChem CID69277261
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide
SMILESNC(=O)CNCCOC1=COC(Cc2ccccc2)O1
InChIInChI=1S/C14H18N2O4/c15-12(17)9-16-6-7-18-14-10-19-13(20-14)8-11-4-2-1-3-5-11/h1-5,10,13,16H,6-9H2,(H2,15,17)
InChIKeyUEEVZHUZHGGROX-UHFFFAOYSA-N
XLogP0.49
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide?
The IUPAC name of 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide (CID 69277261) is 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide.
What is the SMILES notation for 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide?
The canonical SMILES for 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide is NC(=O)CNCCOC1=COC(Cc2ccccc2)O1.
What is the InChIKey of 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide?
The InChIKey is UEEVZHUZHGGROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-12(17)9-16-6-7-18-14-10-19-13(20-14)8-11-4-2-1-3-5-11/h1-5,10,13,16H,6-9H2,(H2,15,17).
What are the key properties of 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide?
2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]ethylamino]acetamide is sourced from PubChem (CID 69277261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).