1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone

C24H27NO2 — CID 67423006

IUPAC1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone
SMILESCC(=O)N1CC2CCC3c4ccc(OCc5ccccc5)cc4CCC23C1
InChIInChI=1S/C24H27NO2/c1-17(26)25-14-20-7-10-23-22-9-8-21(27-15-18-5-3-2-4-6-18)13-19(22)11-12-24(20,23)16-25/h2-6,8-9,13,20,23H,7,10-12,14-16H2,1H3
InChIKeyGNKZWEWITZDILW-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.55
Rot. Bonds3

About 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone

1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone (PubChem CID 67423006) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone.

Molecular Properties

Compound Name1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone
PubChem CID67423006
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone
SMILESCC(=O)N1CC2CCC3c4ccc(OCc5ccccc5)cc4CCC23C1
InChIInChI=1S/C24H27NO2/c1-17(26)25-14-20-7-10-23-22-9-8-21(27-15-18-5-3-2-4-6-18)13-19(22)11-12-24(20,23)16-25/h2-6,8-9,13,20,23H,7,10-12,14-16H2,1H3
InChIKeyGNKZWEWITZDILW-UHFFFAOYSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone with MolForge

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Related Compounds

1-[(1R,10S,13S)-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl]ethanone
CID 59678876
1-[(1S)-2-acetyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanone
CID 71052926
1-hydroxy-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19841196
tert-butyl 1-acetyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 22888481
N-benzyl-2-(5-hydroxy-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanamide
CID 90765663
[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate
CID 146587686
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585
1-[(13S)-17-hydroxy-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-16-yl]ethanone
CID 58622091
1-[(1R,5R)-6-[(3-phenylmethoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 72898667
tert-butyl 6-phenylmethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 139321101
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
(8R,9S,13S,14S,15R,16R,17R)-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-15,16,17-triol
CID 71509098

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone?
The IUPAC name of 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone (CID 67423006) is 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone.
What is the SMILES notation for 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone?
The canonical SMILES for 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone is CC(=O)N1CC2CCC3c4ccc(OCc5ccccc5)cc4CCC23C1.
What is the InChIKey of 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone?
The InChIKey is GNKZWEWITZDILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-17(26)25-14-20-7-10-23-22-9-8-21(27-15-18-5-3-2-4-6-18)13-19(22)11-12-24(20,23)16-25/h2-6,8-9,13,20,23H,7,10-12,14-16H2,1H3.
What are the key properties of 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone?
1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone has a molecular weight of 361.49 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylmethoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-15-yl)ethanone is sourced from PubChem (CID 67423006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).