3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one

C19H23NO2 — CID 73164136

IUPAC3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one
SMILESCc1ccc(C23OCCCN2C(=O)C2C4CCC(C4)C23)cc1
InChIInChI=1S/C19H23NO2/c1-12-3-7-15(8-4-12)19-17-14-6-5-13(11-14)16(17)18(21)20(19)9-2-10-22-19/h3-4,7-8,13-14,16-17H,2,5-6,9-11H2,1H3
InChIKeyLVYUXRGUCWFADI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.07
Rot. Bonds1

About 3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one

3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one (PubChem CID 73164136) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one
PubChem CID73164136
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one
SMILESCc1ccc(C23OCCCN2C(=O)C2C4CCC(C4)C23)cc1
InChIInChI=1S/C19H23NO2/c1-12-3-7-15(8-4-12)19-17-14-6-5-13(11-14)16(17)18(21)20(19)9-2-10-22-19/h3-4,7-8,13-14,16-17H,2,5-6,9-11H2,1H3
InChIKeyLVYUXRGUCWFADI-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(p-tolyl)-
CID 201905
2H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-(2,4-xylyl)-
CID 209786
(1S,2S,5S,7S,10R,11R)-7-(4-chlorophenyl)-5-methyl-8-oxa-3-azatetracyclo[9.2.1.02,10.03,7]tetradec-12-en-4-one
CID 21629758
(1R,2S,5S,7S,10R,11S)-7-(4-chlorophenyl)-5-methyl-8-oxa-3-azatetracyclo[9.2.1.02,10.03,7]tetradec-12-en-4-one
CID 21629760
Methylene-bridged Isoindolo[2,1-a][3,1]benzoxazinone
CID 21680541
(1R,2R,3R,5R,10S,14S,15S)-3-(4-methylphenyl)-4-oxa-12-azapentacyclo[13.2.1.02,14.03,12.05,10]octadecan-13-one
CID 21680543
6,9-Methano-9b-p-tolyl-2,3,5a,6,7,8,9,9a-octahydrooxazolo[2,3-a]isoindol-5-one
CID 73164135
6a,8-Diphenyl-11-oxoperhydroisoindolo[2,1-a][3,1]benzoxazine
CID 129708782
Pentacyclic Methylene-bridged Isoindolo[2,1-a][3,1]benzoxazinone
CID 168306703
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone
CID 132467133
(3S,8R,10R,11S,16R)-10-(4-methylphenyl)-9-oxa-1-azatetracyclo[8.7.0.03,8.011,16]heptadecan-17-one
CID 21680539
(1R,2S,11R,14R,15S)-11-(4-methylphenyl)-12-oxa-3-azapentacyclo[13.2.1.02,14.03,11.05,10]octadeca-5,7,9-trien-4-one
CID 101674272

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one?
The IUPAC name of 3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one (CID 73164136) is 3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one.
What is the SMILES notation for 3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one?
The canonical SMILES for 3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one is Cc1ccc(C23OCCCN2C(=O)C2C4CCC(C4)C23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one?
The InChIKey is LVYUXRGUCWFADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12-3-7-15(8-4-12)19-17-14-6-5-13(11-14)16(17)18(21)20(19)9-2-10-22-19/h3-4,7-8,13-14,16-17H,2,5-6,9-11H2,1H3.
What are the key properties of 3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one?
3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one has a molecular weight of 297.40 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradecan-9-one is sourced from PubChem (CID 73164136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).