(2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene

C20H23NO — CID 144530743

IUPAC(2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
SMILESCCCc1ccc2c(c1)[C@@H]1CN(C)C[C@H]1c1ccccc1O2
InChIInChI=1S/C20H23NO/c1-3-6-14-9-10-20-16(11-14)18-13-21(2)12-17(18)15-7-4-5-8-19(15)22-20/h4-5,7-11,17-18H,3,6,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyVPKNNBWUAXFACX-ROUUACIJSA-N
MW293.41 g/mol
LogP4.56
Rot. Bonds2

About (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene

(2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene (PubChem CID 144530743) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene.

Molecular Properties

Compound Name(2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
PubChem CID144530743
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
SMILESCCCc1ccc2c(c1)[C@@H]1CN(C)C[C@H]1c1ccccc1O2
InChIInChI=1S/C20H23NO/c1-3-6-14-9-10-20-16(11-14)18-13-21(2)12-17(18)15-7-4-5-8-19(15)22-20/h4-5,7-11,17-18H,3,6,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyVPKNNBWUAXFACX-ROUUACIJSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene with MolForge

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Related Compounds

(2R,6R)-9-chloro-4-(trideuterio(113C)methyl)-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;hydrochloride
CID 163335309
9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 78077098
4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 68764179
(Z)-but-2-enedioic acid;(2R,7S)-4-methyl-14-oxa-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 86736416
1-[(5R,6R)-6-(bromomethyl)-3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl]-N-methylmethanamine;[(5R,6R)-3-chloro-5-(methylaminomethyl)-5,6-dihydrobenzo[b][1]benzoxepin-6-yl]methanol;(2R,6R)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;methane;tetrabromomethane
CID 157144856
3-propyl-10H-phenoxazine
CID 140739556
(9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)methyl hexanoate
CID 130341470
[(5R,6R)-3-chloro-5-[(hydroxymethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-6-yl]methyl methanesulfonate;(2R,6R)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
CID 161156931
4,17-dimethyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-3-one
CID 158548363
3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine
CID 123726273
2-butanoyloxy-2-(9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)acetic acid
CID 130341729
[1-(9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)-2-methylpropyl] butanoate
CID 130341560

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene?
The IUPAC name of (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene (CID 144530743) is (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene.
What is the SMILES notation for (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene?
The canonical SMILES for (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene is CCCc1ccc2c(c1)[C@@H]1CN(C)C[C@H]1c1ccccc1O2.
What is the InChIKey of (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene?
The InChIKey is VPKNNBWUAXFACX-ROUUACIJSA-N. The full InChI is InChI=1S/C20H23NO/c1-3-6-14-9-10-20-16(11-14)18-13-21(2)12-17(18)15-7-4-5-8-19(15)22-20/h4-5,7-11,17-18H,3,6,12-13H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene?
(2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene has a molecular weight of 293.41 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-methyl-9-propyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene is sourced from PubChem (CID 144530743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).