(3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane

C23H34N2O2 — CID 11842799

IUPAC(3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1[C@H]3[C@@H](CN1C2(C)C)[C@H](C)ON3Cc1ccccc1
InChIInChI=1S/C23H34N2O2/c1-15-10-11-19-20(12-15)26-22-21-18(14-24(22)23(19,3)4)16(2)27-25(21)13-17-8-6-5-7-9-17/h5-9,15-16,18-22H,10-14H2,1-4H3/t15-,16+,18+,19-,20-,21-,22+/m1/s1
InChIKeySYBARXBPZMAXEO-WPTALCCWSA-N
MW370.54 g/mol
LogP4.06
Rot. Bonds2

About (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane

(3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane (PubChem CID 11842799) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane.

Molecular Properties

Compound Name(3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane
PubChem CID11842799
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name(3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1[C@H]3[C@@H](CN1C2(C)C)[C@H](C)ON3Cc1ccccc1
InChIInChI=1S/C23H34N2O2/c1-15-10-11-19-20(12-15)26-22-21-18(14-24(22)23(19,3)4)16(2)27-25(21)13-17-8-6-5-7-9-17/h5-9,15-16,18-22H,10-14H2,1-4H3/t15-,16+,18+,19-,20-,21-,22+/m1/s1
InChIKeySYBARXBPZMAXEO-WPTALCCWSA-N
XLogP4.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane with MolForge

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Related Compounds

1-[(3S,6R,8R,10S,11R,14R,15S)-2,2,6-trimethyl-12,14-diphenyl-9-oxa-1,12,13-triazatetracyclo[8.6.0.03,8.011,15]hexadecan-13-yl]ethanone
CID 12966644
(3S,6R,8R,10S,11R,15R)-2,2,6-trimethyl-12-phenyl-9-oxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane
CID 102272059
(3S,6R,8R,10S,11S,13S)-2,2,6-trimethyl-11-phenyl-13-(phenylselanylmethyl)-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane
CID 11991747
(8R,12S,15R,17R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene
CID 101098036
(2S,4aS,7R,8aR)-3-benzyl-4,4,7-trimethyl-2-[(E)-2-phenylethenyl]-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine
CID 11653690
(3S,6R,11S)-2,2,6,11-tetramethyl-9-oxa-1-azatetracyclo[8.8.0.03,8.012,17]octadeca-12,14,16-triene
CID 101098058
(3S,6R,11S)-11-ethyl-2,2,6-trimethyl-9-oxa-1-azatetracyclo[8.8.0.03,8.012,17]octadeca-12,14,16-triene
CID 101098048
(1S,8R,15R)-8-benzyl-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene
CID 134996779
(3S,6R,8R,10S,11S)-2,2,6-trimethyl-11-[(Z)-4-phenylbut-1-enyl]-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecan-13-one
CID 53244058
(3S,6R,8R,10S,11S)-2,2,6-trimethyl-11-phenylspiro[9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane-13,1'-cyclohexane]
CID 11991838
[(2S)-2-[(2S,4aS,7R,8aR)-3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]-1,1,1-trifluorobutan-2-yl]oxy-trimethylsilane
CID 11712540
(3S,6R,11S)-2,2,6-trimethyl-11-propan-2-yl-9-oxa-1-azatetracyclo[8.8.0.03,8.012,17]octadeca-12,14,16-triene
CID 101098050

Frequently Asked Questions

What is the IUPAC name of (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane?
The IUPAC name of (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane (CID 11842799) is (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane.
What is the SMILES notation for (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane?
The canonical SMILES for (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane is C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1[C@H]3[C@@H](CN1C2(C)C)[C@H](C)ON3Cc1ccccc1.
What is the InChIKey of (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane?
The InChIKey is SYBARXBPZMAXEO-WPTALCCWSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-15-10-11-19-20(12-15)26-22-21-18(14-24(22)23(19,3)4)16(2)27-25(21)13-17-8-6-5-7-9-17/h5-9,15-16,18-22H,10-14H2,1-4H3/t15-,16+,18+,19-,20-,21-,22+/m1/s1.
What are the key properties of (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane?
(3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane has a molecular weight of 370.54 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,8R,10S,11R,14S,15R)-12-benzyl-2,2,6,14-tetramethyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane is sourced from PubChem (CID 11842799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).