N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide

C17H25NO2 — CID 96529658

IUPACN-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C
InChIInChI=1S/C17H25NO2/c1-17(2)11-7-10-15(17)18(16(19)13-20-3)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3/t15-/m1/s1
InChIKeyLZFUOSFFUBIJOW-OAHLLOKOSA-N
MW275.39 g/mol
LogP3.24
Rot. Bonds5

About N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide

N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide (PubChem CID 96529658) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide
PubChem CID96529658
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C
InChIInChI=1S/C17H25NO2/c1-17(2)11-7-10-15(17)18(16(19)13-20-3)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3/t15-/m1/s1
InChIKeyLZFUOSFFUBIJOW-OAHLLOKOSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide?
The IUPAC name of N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide (CID 96529658) is N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide.
What is the SMILES notation for N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide?
The canonical SMILES for N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide is COCC(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C.
What is the InChIKey of N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide?
The InChIKey is LZFUOSFFUBIJOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2)11-7-10-15(17)18(16(19)13-20-3)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3/t15-/m1/s1.
What are the key properties of N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide?
N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide has a molecular weight of 275.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide is sourced from PubChem (CID 96529658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).