N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide

C11H20N2O4 — CID 66195874

IUPACN-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)C1COCCO1
InChIInChI=1S/C11H20N2O4/c1-2-16-8-5-7(12)10(8)13-11(14)9-6-15-3-4-17-9/h7-10H,2-6,12H2,1H3,(H,13,14)
InChIKeyNPAWLORGIKAPEF-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.98
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide

N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide (PubChem CID 66195874) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide
PubChem CID66195874
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)C1COCCO1
InChIInChI=1S/C11H20N2O4/c1-2-16-8-5-7(12)10(8)13-11(14)9-6-15-3-4-17-9/h7-10H,2-6,12H2,1H3,(H,13,14)
InChIKeyNPAWLORGIKAPEF-UHFFFAOYSA-N
XLogP-0.98
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide (CID 66195874) is N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide is CCOC1CC(N)C1NC(=O)C1COCCO1.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide?
The InChIKey is NPAWLORGIKAPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-16-8-5-7(12)10(8)13-11(14)9-6-15-3-4-17-9/h7-10H,2-6,12H2,1H3,(H,13,14).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide?
N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 66195874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).