(10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene

C25H27NO3 — CID 102241239

IUPAC(10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
SMILESCOc1cc2c(cc1OC)-c1ccccc1OC[C@H](Cc1ccccc1)N(C)C2
InChIInChI=1S/C25H27NO3/c1-26-16-19-14-24(27-2)25(28-3)15-22(19)21-11-7-8-12-23(21)29-17-20(26)13-18-9-5-4-6-10-18/h4-12,14-15,20H,13,16-17H2,1-3H3/t20-/m0/s1
InChIKeyMHHLQFJQPOXKCW-FQEVSTJZSA-N
MW389.50 g/mol
LogP4.81
Rot. Bonds4

About (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene

(10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene (PubChem CID 102241239) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene.

Molecular Properties

Compound Name(10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
PubChem CID102241239
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name(10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
SMILESCOc1cc2c(cc1OC)-c1ccccc1OC[C@H](Cc1ccccc1)N(C)C2
InChIInChI=1S/C25H27NO3/c1-26-16-19-14-24(27-2)25(28-3)15-22(19)21-11-7-8-12-23(21)29-17-20(26)13-18-9-5-4-6-10-18/h4-12,14-15,20H,13,16-17H2,1-3H3/t20-/m0/s1
InChIKeyMHHLQFJQPOXKCW-FQEVSTJZSA-N
XLogP4.81
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
The IUPAC name of (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene (CID 102241239) is (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene.
What is the SMILES notation for (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
The canonical SMILES for (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene is COc1cc2c(cc1OC)-c1ccccc1OC[C@H](Cc1ccccc1)N(C)C2.
What is the InChIKey of (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
The InChIKey is MHHLQFJQPOXKCW-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27NO3/c1-26-16-19-14-24(27-2)25(28-3)15-22(19)21-11-7-8-12-23(21)29-17-20(26)13-18-9-5-4-6-10-18/h4-12,14-15,20H,13,16-17H2,1-3H3/t20-/m0/s1.
What are the key properties of (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
(10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene has a molecular weight of 389.50 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-benzyl-15,16-dimethoxy-11-methyl-8-oxa-11-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene is sourced from PubChem (CID 102241239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).