N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide

C15H22N2O3 — CID 91841175

IUPACN-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide
SMILESCCN(CC1CCCCO1)C(=O)COc1cccnc1
InChIInChI=1S/C15H22N2O3/c1-2-17(11-14-6-3-4-9-19-14)15(18)12-20-13-7-5-8-16-10-13/h5,7-8,10,14H,2-4,6,9,11-12H2,1H3
InChIKeyQLNHZCQIFYIIEF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.88
Rot. Bonds6

About N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide

N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide (PubChem CID 91841175) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide
PubChem CID91841175
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide
SMILESCCN(CC1CCCCO1)C(=O)COc1cccnc1
InChIInChI=1S/C15H22N2O3/c1-2-17(11-14-6-3-4-9-19-14)15(18)12-20-13-7-5-8-16-10-13/h5,7-8,10,14H,2-4,6,9,11-12H2,1H3
InChIKeyQLNHZCQIFYIIEF-UHFFFAOYSA-N
XLogP1.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide (CID 91841175) is N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide is CCN(CC1CCCCO1)C(=O)COc1cccnc1.
What is the InChIKey of N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide?
The InChIKey is QLNHZCQIFYIIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-17(11-14-6-3-4-9-19-14)15(18)12-20-13-7-5-8-16-10-13/h5,7-8,10,14H,2-4,6,9,11-12H2,1H3.
What are the key properties of N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide?
N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 91841175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).