N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide

C22H27NO2 — CID 2877769

IUPACN-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide
SMILESCC1(C)CC(N(Cc2ccccc2)C(=O)Cc2ccccc2)CCO1
InChIInChI=1S/C22H27NO2/c1-22(2)16-20(13-14-25-22)23(17-19-11-7-4-8-12-19)21(24)15-18-9-5-3-6-10-18/h3-12,20H,13-17H2,1-2H3
InChIKeyCZINEGVPVXZXAS-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.22
Rot. Bonds5

About N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide

N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide (PubChem CID 2877769) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide
PubChem CID2877769
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide
SMILESCC1(C)CC(N(Cc2ccccc2)C(=O)Cc2ccccc2)CCO1
InChIInChI=1S/C22H27NO2/c1-22(2)16-20(13-14-25-22)23(17-19-11-7-4-8-12-19)21(24)15-18-9-5-3-6-10-18/h3-12,20H,13-17H2,1-2H3
InChIKeyCZINEGVPVXZXAS-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide?
The IUPAC name of N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide (CID 2877769) is N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide?
The canonical SMILES for N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide is CC1(C)CC(N(Cc2ccccc2)C(=O)Cc2ccccc2)CCO1.
What is the InChIKey of N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide?
The InChIKey is CZINEGVPVXZXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-22(2)16-20(13-14-25-22)23(17-19-11-7-4-8-12-19)21(24)15-18-9-5-3-6-10-18/h3-12,20H,13-17H2,1-2H3.
What are the key properties of N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide?
N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide has a molecular weight of 337.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,2-dimethyloxan-4-yl)-2-phenylacetamide is sourced from PubChem (CID 2877769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).