N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide

C21H26N2O2 — CID 110180865

IUPACN-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCN2CCC(C)(c3ccccc3)OC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17(24)22-20-10-8-18(9-11-20)12-14-23-15-13-21(2,25-16-23)19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,22,24)
InChIKeyBNHYPQQLBHPZNN-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.78
Rot. Bonds5

About N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide

N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide (PubChem CID 110180865) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide
PubChem CID110180865
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCN2CCC(C)(c3ccccc3)OC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17(24)22-20-10-8-18(9-11-20)12-14-23-15-13-21(2,25-16-23)19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,22,24)
InChIKeyBNHYPQQLBHPZNN-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide (CID 110180865) is N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCN2CCC(C)(c3ccccc3)OC2)cc1.
What is the InChIKey of N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide?
The InChIKey is BNHYPQQLBHPZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17(24)22-20-10-8-18(9-11-20)12-14-23-15-13-21(2,25-16-23)19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide?
N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide is sourced from PubChem (CID 110180865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).