N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride

C16H23ClN2O2 — CID 90674186

IUPACN-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C2CN3CCCCC3CO2)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-12(19)17-14-7-5-13(6-8-14)16-10-18-9-3-2-4-15(18)11-20-16;/h5-8,15-16H,2-4,9-11H2,1H3,(H,17,19);1H
InChIKeyRBMRMCPPESDIFD-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.99
Rot. Bonds2

About N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride

N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride (PubChem CID 90674186) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride
PubChem CID90674186
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C2CN3CCCCC3CO2)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-12(19)17-14-7-5-13(6-8-14)16-10-18-9-3-2-4-15(18)11-20-16;/h5-8,15-16H,2-4,9-11H2,1H3,(H,17,19);1H
InChIKeyRBMRMCPPESDIFD-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride (CID 90674186) is N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(C2CN3CCCCC3CO2)cc1.Cl.
What is the InChIKey of N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride?
The InChIKey is RBMRMCPPESDIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-12(19)17-14-7-5-13(6-8-14)16-10-18-9-3-2-4-15(18)11-20-16;/h5-8,15-16H,2-4,9-11H2,1H3,(H,17,19);1H.
What are the key properties of N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride?
N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 90674186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).