2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide

C20H24N2O2 — CID 124885437

IUPAC2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide
SMILESCC[C@@H]1C[C@@H](CC(=O)Nc2ncccc2-c2ccccc2)CCO1
InChIInChI=1S/C20H24N2O2/c1-2-17-13-15(10-12-24-17)14-19(23)22-20-18(9-6-11-21-20)16-7-4-3-5-8-16/h3-9,11,15,17H,2,10,12-14H2,1H3,(H,21,22,23)/t15-,17+/m0/s1
InChIKeyMAXJUDFQHNHLQU-DOTOQJQBSA-N
MW324.42 g/mol
LogP4.28
Rot. Bonds5

About 2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide

2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide (PubChem CID 124885437) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide
PubChem CID124885437
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide
SMILESCC[C@@H]1C[C@@H](CC(=O)Nc2ncccc2-c2ccccc2)CCO1
InChIInChI=1S/C20H24N2O2/c1-2-17-13-15(10-12-24-17)14-19(23)22-20-18(9-6-11-21-20)16-7-4-3-5-8-16/h3-9,11,15,17H,2,10,12-14H2,1H3,(H,21,22,23)/t15-,17+/m0/s1
InChIKeyMAXJUDFQHNHLQU-DOTOQJQBSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide (CID 124885437) is 2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide is CC[C@@H]1C[C@@H](CC(=O)Nc2ncccc2-c2ccccc2)CCO1.
What is the InChIKey of 2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide?
The InChIKey is MAXJUDFQHNHLQU-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-17-13-15(10-12-24-17)14-19(23)22-20-18(9-6-11-21-20)16-7-4-3-5-8-16/h3-9,11,15,17H,2,10,12-14H2,1H3,(H,21,22,23)/t15-,17+/m0/s1.
What are the key properties of 2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide?
2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 124885437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).