N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide

C20H25NO3 — CID 658194

IUPACN-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESCC1(C)CC(N(Cc2ccco2)C(=O)Cc2ccccc2)CCO1
InChIInChI=1S/C20H25NO3/c1-20(2)14-17(10-12-24-20)21(15-18-9-6-11-23-18)19(22)13-16-7-4-3-5-8-16/h3-9,11,17H,10,12-15H2,1-2H3
InChIKeyJUFKWOZPSIQENJ-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.81
Rot. Bonds5

About N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide

N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide (PubChem CID 658194) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide
PubChem CID658194
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESCC1(C)CC(N(Cc2ccco2)C(=O)Cc2ccccc2)CCO1
InChIInChI=1S/C20H25NO3/c1-20(2)14-17(10-12-24-20)21(15-18-9-6-11-23-18)19(22)13-16-7-4-3-5-8-16/h3-9,11,17H,10,12-15H2,1-2H3
InChIKeyJUFKWOZPSIQENJ-UHFFFAOYSA-N
XLogP3.81
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide (CID 658194) is N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide is CC1(C)CC(N(Cc2ccco2)C(=O)Cc2ccccc2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide?
The InChIKey is JUFKWOZPSIQENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2)14-17(10-12-24-20)21(15-18-9-6-11-23-18)19(22)13-16-7-4-3-5-8-16/h3-9,11,17H,10,12-15H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide?
N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 327.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 658194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).