N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide

C16H26N2O3 — CID 75423059

IUPACN-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C(=O)N1CC2C3CCC(C3)C21)C(C)C
InChIInChI=1S/C16H26N2O3/c1-9(2)14(17-13(19)8-21-3)16(20)18-7-12-10-4-5-11(6-10)15(12)18/h9-12,14-15H,4-8H2,1-3H3,(H,17,19)/t10?,11?,12?,14-,15?/m0/s1
InChIKeyRLIXHIJFOZPULA-RVLYAHEQSA-N
MW294.39 g/mol
LogP1.03
Rot. Bonds5

About N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide

N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide (PubChem CID 75423059) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide
PubChem CID75423059
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C(=O)N1CC2C3CCC(C3)C21)C(C)C
InChIInChI=1S/C16H26N2O3/c1-9(2)14(17-13(19)8-21-3)16(20)18-7-12-10-4-5-11(6-10)15(12)18/h9-12,14-15H,4-8H2,1-3H3,(H,17,19)/t10?,11?,12?,14-,15?/m0/s1
InChIKeyRLIXHIJFOZPULA-RVLYAHEQSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide (CID 75423059) is N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide is COCC(=O)N[C@H](C(=O)N1CC2C3CCC(C3)C21)C(C)C.
What is the InChIKey of N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide?
The InChIKey is RLIXHIJFOZPULA-RVLYAHEQSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-9(2)14(17-13(19)8-21-3)16(20)18-7-12-10-4-5-11(6-10)15(12)18/h9-12,14-15H,4-8H2,1-3H3,(H,17,19)/t10?,11?,12?,14-,15?/m0/s1.
What are the key properties of N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide?
N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide has a molecular weight of 294.39 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 75423059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).