N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide

C28H26N2O2 — CID 11582582

IUPACN-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2
InChIInChI=1S/C28H26N2O2/c1-17(31)29-25-8-4-2-6-22(25)18-10-13-24-27(16-18)32-26-9-5-3-7-23(26)28(24)19-14-20-11-12-21(15-19)30-20/h2-10,13,16,20-21,30H,11-12,14-15H2,1H3,(H,29,31)
InChIKeyUWRJMEPIPHTLMH-UHFFFAOYSA-N
MW422.53 g/mol
LogP6.13
Rot. Bonds2

About N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide

N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide (PubChem CID 11582582) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide
PubChem CID11582582
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC NameN-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2
InChIInChI=1S/C28H26N2O2/c1-17(31)29-25-8-4-2-6-22(25)18-10-13-24-27(16-18)32-26-9-5-3-7-23(26)28(24)19-14-20-11-12-21(15-19)30-20/h2-10,13,16,20-21,30H,11-12,14-15H2,1H3,(H,29,31)
InChIKeyUWRJMEPIPHTLMH-UHFFFAOYSA-N
XLogP6.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[9-(8-azabicyclo[3.2.1]octan-3-yl)-8-hydroxy-9H-xanthen-3-yl]phenyl]acetamide
CID 69348754
3-(3-bromoxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane;ethane
CID 143252904
N-[2-[9-(8-azabicyclo[3.2.1]octan-3-yl)-8-methoxy-9H-xanthen-3-yl]phenyl]acetamide
CID 69348994
N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide
CID 11546696
acetohydrazide;benzenesulfonic acid;ethanol;3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)xanthen-9-ylidene]-8-azabicyclo[3.2.1]octane
CID 160502264
N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide
CID 11641072
N'-[amino(methyl)amino]-9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthene-3-carboximidamide
CID 143424525
tert-butyl (1R,5S)-3-[3-(2-acetamidophenyl)phenoxazin-10-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59814688
N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide
CID 174528204
9-(8-azabicyclo[3.2.1]octan-3-ylidene)-N'-hydroxyxanthene-4-carboximidamide
CID 76578682
9-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-ylidene]-N'-hydroxyxanthene-4-carboximidamide
CID 89129720
N-[2-[9-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide
CID 11627882

Frequently Asked Questions

What is the IUPAC name of N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide (CID 11582582) is N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2.
What is the InChIKey of N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide?
The InChIKey is UWRJMEPIPHTLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-17(31)29-25-8-4-2-6-22(25)18-10-13-24-27(16-18)32-26-9-5-3-7-23(26)28(24)19-14-20-11-12-21(15-19)30-20/h2-10,13,16,20-21,30H,11-12,14-15H2,1H3,(H,29,31).
What are the key properties of N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide?
N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 6.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide is sourced from PubChem (CID 11582582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).