N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide

C18H21N3O3 — CID 91792659

IUPACN-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
SMILESO=C(Cc1cnccn1)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C18H21N3O3/c22-18(10-15-11-19-7-8-20-15)21-16-6-9-23-13-17(16)24-12-14-4-2-1-3-5-14/h1-5,7-8,11,16-17H,6,9-10,12-13H2,(H,21,22)/t16-,17-/m1/s1
InChIKeyAECHVUNFYIXEET-IAGOWNOFSA-N
MW327.38 g/mol
LogP1.51
Rot. Bonds6

About N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide

N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide (PubChem CID 91792659) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
PubChem CID91792659
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
SMILESO=C(Cc1cnccn1)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C18H21N3O3/c22-18(10-15-11-19-7-8-20-15)21-16-6-9-23-13-17(16)24-12-14-4-2-1-3-5-14/h1-5,7-8,11,16-17H,6,9-10,12-13H2,(H,21,22)/t16-,17-/m1/s1
InChIKeyAECHVUNFYIXEET-IAGOWNOFSA-N
XLogP1.51
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
CID 91759680
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91782131
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
2-(1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 156609865
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-3-piperidin-1-ylpropanamide
CID 91766954
3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91761236
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide
CID 133268380
2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide?
The IUPAC name of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide (CID 91792659) is N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide.
What is the SMILES notation for N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide?
The canonical SMILES for N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide is O=C(Cc1cnccn1)N[C@@H]1CCOC[C@H]1OCc1ccccc1.
What is the InChIKey of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide?
The InChIKey is AECHVUNFYIXEET-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-18(10-15-11-19-7-8-20-15)21-16-6-9-23-13-17(16)24-12-14-4-2-1-3-5-14/h1-5,7-8,11,16-17H,6,9-10,12-13H2,(H,21,22)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide?
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide has a molecular weight of 327.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide is sourced from PubChem (CID 91792659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).