N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide

C11H20N2O3 — CID 102874180

IUPACN-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
SMILESNCCN(C(=O)C1COCCO1)C1CCC1
InChIInChI=1S/C11H20N2O3/c12-4-5-13(9-2-1-3-9)11(14)10-8-15-6-7-16-10/h9-10H,1-8,12H2
InChIKeyJWEBJRSIUMGIDZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.26
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide

N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide (PubChem CID 102874180) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
PubChem CID102874180
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
SMILESNCCN(C(=O)C1COCCO1)C1CCC1
InChIInChI=1S/C11H20N2O3/c12-4-5-13(9-2-1-3-9)11(14)10-8-15-6-7-16-10/h9-10H,1-8,12H2
InChIKeyJWEBJRSIUMGIDZ-UHFFFAOYSA-N
XLogP-0.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
CID 102873929
N-(2-bromoethyl)-N-cyclopentyl-1,4-dioxane-2-carboxamide
CID 80658716
N-(2-aminoethyl)-N-cyclopentyloxolane-2-carboxamide
CID 63754436
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-1,4-dioxane-2-carboxamide
CID 62804896
2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid
CID 60825516
N-(2-aminoethyl)-N-cyclopentyloxane-3-carboxamide
CID 63755880
N-(3-aminopropyl)-N-cyclohexyloxolane-2-carboxamide
CID 43136866
N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide
CID 62799373
N-(2-aminoethyl)-N-cyclopentylcyclohexanecarboxamide
CID 63754803
N-[1-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide
CID 86806973
N-(3-aminopropyl)-N-cyclohexyloxane-3-carboxamide
CID 55149190
N-(3-aminopropyl)-N-cyclobutyloxane-4-carboxamide
CID 102873819

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide (CID 102874180) is N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide is NCCN(C(=O)C1COCCO1)C1CCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide?
The InChIKey is JWEBJRSIUMGIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-4-5-13(9-2-1-3-9)11(14)10-8-15-6-7-16-10/h9-10H,1-8,12H2.
What are the key properties of N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide?
N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 102874180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).