N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide

C17H27N3O2 — CID 46984128

IUPACN-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide
SMILESCCN(CCN1CCCCCC1)C(=O)COc1cccnc1
InChIInChI=1S/C17H27N3O2/c1-2-20(13-12-19-10-5-3-4-6-11-19)17(21)15-22-16-8-7-9-18-14-16/h7-9,14H,2-6,10-13,15H2,1H3
InChIKeyMEXUYLBAZGBLQH-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.18
Rot. Bonds7

About N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide

N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide (PubChem CID 46984128) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide
PubChem CID46984128
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide
SMILESCCN(CCN1CCCCCC1)C(=O)COc1cccnc1
InChIInChI=1S/C17H27N3O2/c1-2-20(13-12-19-10-5-3-4-6-11-19)17(21)15-22-16-8-7-9-18-14-16/h7-9,14H,2-6,10-13,15H2,1H3
InChIKeyMEXUYLBAZGBLQH-UHFFFAOYSA-N
XLogP2.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide (CID 46984128) is N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide is CCN(CCN1CCCCCC1)C(=O)COc1cccnc1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide?
The InChIKey is MEXUYLBAZGBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-20(13-12-19-10-5-3-4-6-11-19)17(21)15-22-16-8-7-9-18-14-16/h7-9,14H,2-6,10-13,15H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide?
N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide has a molecular weight of 305.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 46984128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).