N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide

C27H27N3O3 — CID 11546696

IUPACN-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1c(O)cccc1N2C1CC2CCC(C1)N2
InChIInChI=1S/C27H27N3O3/c1-16(31)28-22-6-3-2-5-21(22)17-9-12-23-26(13-17)33-27-24(7-4-8-25(27)32)30(23)20-14-18-10-11-19(15-20)29-18/h2-9,12-13,18-20,29,32H,10-11,14-15H2,1H3,(H,28,31)
InChIKeyYEALHIHOPNMVTB-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.54
Rot. Bonds3

About N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide

N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide (PubChem CID 11546696) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide
PubChem CID11546696
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1c(O)cccc1N2C1CC2CCC(C1)N2
InChIInChI=1S/C27H27N3O3/c1-16(31)28-22-6-3-2-5-21(22)17-9-12-23-26(13-17)33-27-24(7-4-8-25(27)32)30(23)20-14-18-10-11-19(15-20)29-18/h2-9,12-13,18-20,29,32H,10-11,14-15H2,1H3,(H,28,31)
InChIKeyYEALHIHOPNMVTB-UHFFFAOYSA-N
XLogP5.54
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide (CID 11546696) is N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1c(O)cccc1N2C1CC2CCC(C1)N2.
What is the InChIKey of N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide?
The InChIKey is YEALHIHOPNMVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-16(31)28-22-6-3-2-5-21(22)17-9-12-23-26(13-17)33-27-24(7-4-8-25(27)32)30(23)20-14-18-10-11-19(15-20)29-18/h2-9,12-13,18-20,29,32H,10-11,14-15H2,1H3,(H,28,31).
What are the key properties of N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide?
N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 5.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 11546696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).