2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide

C23H30N2O2 — CID 41064666

IUPAC2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)[C@H]1C[C@@](CC(=O)NCc2cccnc2)(Cc2ccccc2)CCO1
InChIInChI=1S/C23H30N2O2/c1-18(2)21-14-23(10-12-27-21,13-19-7-4-3-5-8-19)15-22(26)25-17-20-9-6-11-24-16-20/h3-9,11,16,18,21H,10,12-15,17H2,1-2H3,(H,25,26)/t21-,23+/m1/s1
InChIKeyZLVSCYXXHREPGG-GGAORHGYSA-N
MW366.51 g/mol
LogP4.15
Rot. Bonds7

About 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 41064666) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID41064666
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)[C@H]1C[C@@](CC(=O)NCc2cccnc2)(Cc2ccccc2)CCO1
InChIInChI=1S/C23H30N2O2/c1-18(2)21-14-23(10-12-27-21,13-19-7-4-3-5-8-19)15-22(26)25-17-20-9-6-11-24-16-20/h3-9,11,16,18,21H,10,12-15,17H2,1-2H3,(H,25,26)/t21-,23+/m1/s1
InChIKeyZLVSCYXXHREPGG-GGAORHGYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021957
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
2-[(2S,4S)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(furan-2-ylmethyl)ethanamine
CID 40917194
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 35512081
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
(3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362803
2-[(3aS,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-3-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155838043

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 41064666) is 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide is CC(C)[C@H]1C[C@@](CC(=O)NCc2cccnc2)(Cc2ccccc2)CCO1.
What is the InChIKey of 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZLVSCYXXHREPGG-GGAORHGYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(2)21-14-23(10-12-27-21,13-19-7-4-3-5-8-19)15-22(26)25-17-20-9-6-11-24-16-20/h3-9,11,16,18,21H,10,12-15,17H2,1-2H3,(H,25,26)/t21-,23+/m1/s1.
What are the key properties of 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 41064666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).