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

C28H29N3O3 — CID 11641072

IUPACN-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide
SMILESCOc1cccc2c1Oc1cc(-c3ccccc3NC(C)=O)ccc1N2C1CC2CCC(C1)N2
InChIInChI=1S/C28H29N3O3/c1-17(32)29-23-7-4-3-6-22(23)18-10-13-24-27(14-18)34-28-25(8-5-9-26(28)33-2)31(24)21-15-19-11-12-20(16-21)30-19/h3-10,13-14,19-21,30H,11-12,15-16H2,1-2H3,(H,29,32)
InChIKeySOCKPKNZGNKBSF-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.85
Rot. Bonds4

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

N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide (PubChem CID 11641072) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide
PubChem CID11641072
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide
SMILESCOc1cccc2c1Oc1cc(-c3ccccc3NC(C)=O)ccc1N2C1CC2CCC(C1)N2
InChIInChI=1S/C28H29N3O3/c1-17(32)29-23-7-4-3-6-22(23)18-10-13-24-27(14-18)34-28-25(8-5-9-26(28)33-2)31(24)21-15-19-11-12-20(16-21)30-19/h3-10,13-14,19-21,30H,11-12,15-16H2,1-2H3,(H,29,32)
InChIKeySOCKPKNZGNKBSF-UHFFFAOYSA-N
XLogP5.85
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide
CID 11546696
10-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-6-methoxy-3-pyridin-4-ylphenoxazine
CID 59814689
N-[2-(6-hydroxy-10-piperidin-4-ylphenoxazin-3-yl)phenyl]acetamide
CID 11524493
N-[2-[9-(8-azabicyclo[3.2.1]octan-3-yl)-8-methoxy-9H-xanthen-3-yl]phenyl]acetamide
CID 69348994
tert-butyl (1R,5S)-3-[3-(2-acetamidophenyl)phenoxazin-10-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59814688
N-[2-[10-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazin-3-yl]phenyl]acetamide;tert-butyl (1R,5S)-3-(3-chlorophenoxazin-10-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 160878891
N-[2-[10-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazin-3-yl]phenyl]acetamide
CID 11526496
N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide
CID 11582582
N-[2-[9-(8-azabicyclo[3.2.1]octan-3-yl)-8-hydroxy-9H-xanthen-3-yl]phenyl]acetamide
CID 69348754
N-[2-[10-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazin-3-yl]phenyl]acetamide
CID 11577252
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate
CID 90693327
N-[2-[5-hydroxy-9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide
CID 11613514

Frequently Asked Questions

What is the IUPAC name of N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide (CID 11641072) is N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide is COc1cccc2c1Oc1cc(-c3ccccc3NC(C)=O)ccc1N2C1CC2CCC(C1)N2.
What is the InChIKey of N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide?
The InChIKey is SOCKPKNZGNKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-17(32)29-23-7-4-3-6-22(23)18-10-13-24-27(14-18)34-28-25(8-5-9-26(28)33-2)31(24)21-15-19-11-12-20(16-21)30-19/h3-10,13-14,19-21,30H,11-12,15-16H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide?
N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxyphenoxazin-3-yl]phenyl]acetamide has a molecular weight of 455.56 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 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-methoxyphenoxazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 11641072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).