N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide

C11H20N2O3 — CID 61363896

IUPACN-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCC1COCCO1
InChIInChI=1S/C11H20N2O3/c14-11(6-9-2-1-3-12-9)13-7-10-8-15-4-5-16-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyZQZZUVBTIZMOSH-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.34
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide

N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61363896) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61363896
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCC1COCCO1
InChIInChI=1S/C11H20N2O3/c14-11(6-9-2-1-3-12-9)13-7-10-8-15-4-5-16-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyZQZZUVBTIZMOSH-UHFFFAOYSA-N
XLogP-0.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 55013597
N-(oxolan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 43151298
N-(oxan-3-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366642
N-(cyclopentylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61370022
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372732
N-(oxan-4-ylmethyl)-2-piperidin-2-ylacetamide
CID 55226266
N-[(2-propan-2-yloxolan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119819204
N-[(2-methylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115738402
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 80520213
N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 103811357
5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid
CID 61023561
2-cyclopropyl-N-(morpholin-3-ylmethyl)acetamide
CID 103548657

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide (CID 61363896) is N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is ZQZZUVBTIZMOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-11(6-9-2-1-3-12-9)13-7-10-8-15-4-5-16-10/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide?
N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 228.29 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61363896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).