2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide

C23H29NO3 — CID 2900431

IUPAC2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2(Cc3ccccc3)CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H29NO3/c1-22(2)17-23(13-14-27-22,15-18-7-5-4-6-8-18)16-21(25)24-19-9-11-20(26-3)12-10-19/h4-12H,13-17H2,1-3H3,(H,24,25)
InChIKeyBTCKQCDLGKYRNK-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.84
Rot. Bonds6

About 2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide

2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 2900431) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID2900431
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2(Cc3ccccc3)CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H29NO3/c1-22(2)17-23(13-14-27-22,15-18-7-5-4-6-8-18)16-21(25)24-19-9-11-20(26-3)12-10-19/h4-12H,13-17H2,1-3H3,(H,24,25)
InChIKeyBTCKQCDLGKYRNK-UHFFFAOYSA-N
XLogP4.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide (CID 2900431) is 2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CC2(Cc3ccccc3)CCOC(C)(C)C2)cc1.
What is the InChIKey of 2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is BTCKQCDLGKYRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-22(2)17-23(13-14-27-22,15-18-7-5-4-6-8-18)16-21(25)24-19-9-11-20(26-3)12-10-19/h4-12H,13-17H2,1-3H3,(H,24,25).
What are the key properties of 2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide?
2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2900431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).