2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide

C14H20N2O4 — CID 61023833

IUPAC2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide
SMILESNCc1ccccc1OCC(=O)NCC1COCCO1
InChIInChI=1S/C14H20N2O4/c15-7-11-3-1-2-4-13(11)20-10-14(17)16-8-12-9-18-5-6-19-12/h1-4,12H,5-10,15H2,(H,16,17)
InChIKeyVTVQFMUTTPEGFL-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.06
Rot. Bonds6

About 2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide

2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide (PubChem CID 61023833) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide
PubChem CID61023833
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide
SMILESNCc1ccccc1OCC(=O)NCC1COCCO1
InChIInChI=1S/C14H20N2O4/c15-7-11-3-1-2-4-13(11)20-10-14(17)16-8-12-9-18-5-6-19-12/h1-4,12H,5-10,15H2,(H,16,17)
InChIKeyVTVQFMUTTPEGFL-UHFFFAOYSA-N
XLogP0.06
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide
CID 102548369
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea
CID 125167190
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
2-(3-aminophenyl)-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 55083536
2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 91828550
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylamino]methyl]benzoic acid
CID 122030533
2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533761
2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide
CID 81420849

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide (CID 61023833) is 2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide is NCc1ccccc1OCC(=O)NCC1COCCO1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide?
The InChIKey is VTVQFMUTTPEGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c15-7-11-3-1-2-4-13(11)20-10-14(17)16-8-12-9-18-5-6-19-12/h1-4,12H,5-10,15H2,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide?
2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide is sourced from PubChem (CID 61023833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).