2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide

C14H20N2O4 — CID 81420849

IUPAC2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NCC1COCCO1
InChIInChI=1S/C14H20N2O4/c1-2-19-12-5-3-4-11(15)13(12)14(17)16-8-10-9-18-6-7-20-10/h3-5,10H,2,6-9,15H2,1H3,(H,16,17)
InChIKeyYSZGOCRGSXFELV-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.81
Rot. Bonds5

About 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide

2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide (PubChem CID 81420849) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide
PubChem CID81420849
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NCC1COCCO1
InChIInChI=1S/C14H20N2O4/c1-2-19-12-5-3-4-11(15)13(12)14(17)16-8-10-9-18-6-7-20-10/h3-5,10H,2,6-9,15H2,1H3,(H,16,17)
InChIKeyYSZGOCRGSXFELV-UHFFFAOYSA-N
XLogP0.81
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide (CID 81420849) is 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)NCC1COCCO1.
What is the InChIKey of 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide?
The InChIKey is YSZGOCRGSXFELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-19-12-5-3-4-11(15)13(12)14(17)16-8-10-9-18-6-7-20-10/h3-5,10H,2,6-9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide?
2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide has a molecular weight of 280.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide is sourced from PubChem (CID 81420849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).