2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide

C15H21N3O4 — CID 91767025

IUPAC2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
SMILESCC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C15H21N3O4/c1-11(19)17-8-15(20)18-13-5-7-21-10-14(13)22-9-12-4-2-3-6-16-12/h2-4,6,13-14H,5,7-10H2,1H3,(H,17,19)(H,18,20)/t13-,14-/m1/s1
InChIKeyKQZQGDGPQQMCBU-ZIAGYGMSSA-N
MW307.35 g/mol
LogP0.01
Rot. Bonds6

About 2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide

2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide (PubChem CID 91767025) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
PubChem CID91767025
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
SMILESCC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C15H21N3O4/c1-11(19)17-8-15(20)18-13-5-7-21-10-14(13)22-9-12-4-2-3-6-16-12/h2-4,6,13-14H,5,7-10H2,1H3,(H,17,19)(H,18,20)/t13-,14-/m1/s1
InChIKeyKQZQGDGPQQMCBU-ZIAGYGMSSA-N
XLogP0.01
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
CID 91759680
2-(1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 156609865
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91771200
3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91766286
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91782411
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide
CID 91764518
3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91764386
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91769435
3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide
CID 91797644
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
The IUPAC name of 2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide (CID 91767025) is 2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide is CC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1.
What is the InChIKey of 2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
The InChIKey is KQZQGDGPQQMCBU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11(19)17-8-15(20)18-13-5-7-21-10-14(13)22-9-12-4-2-3-6-16-12/h2-4,6,13-14H,5,7-10H2,1H3,(H,17,19)(H,18,20)/t13-,14-/m1/s1.
What are the key properties of 2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide is sourced from PubChem (CID 91767025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).