N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide

C18H25NO3 — CID 75500738

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide
SMILESCOC(C(=O)N(C)C1C2CCOC2C1(C)C)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-18(2)15(13-10-11-22-16(13)18)19(3)17(20)14(21-4)12-8-6-5-7-9-12/h5-9,13-16H,10-11H2,1-4H3
InChIKeyDBSCCTZRNJCEMS-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.65
Rot. Bonds4

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide (PubChem CID 75500738) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide
PubChem CID75500738
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide
SMILESCOC(C(=O)N(C)C1C2CCOC2C1(C)C)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-18(2)15(13-10-11-22-16(13)18)19(3)17(20)14(21-4)12-8-6-5-7-9-12/h5-9,13-16H,10-11H2,1-4H3
InChIKeyDBSCCTZRNJCEMS-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide (CID 75500738) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide is COC(C(=O)N(C)C1C2CCOC2C1(C)C)c1ccccc1.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide?
The InChIKey is DBSCCTZRNJCEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(2)15(13-10-11-22-16(13)18)19(3)17(20)14(21-4)12-8-6-5-7-9-12/h5-9,13-16H,10-11H2,1-4H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide has a molecular weight of 303.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methoxy-N-methyl-2-phenylacetamide is sourced from PubChem (CID 75500738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).