(14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene

C23H25NO — CID 162977194

IUPAC(14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene
SMILESCc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@@H]1CC[C@@](C)(C[C@H]41)O3
InChIInChI=1S/C23H25NO/c1-13-5-7-18-15(11-13)14-6-8-19-20-16-12-23(4,25-19)10-9-17(16)22(2,3)24(18)21(14)20/h5-8,11,16-17H,9-10,12H2,1-4H3/t16-,17+,23-/m0/s1
InChIKeySCQKOFCBSCEEQG-MFEFFIJZSA-N
MW331.46 g/mol
LogP5.89
Rot. Bonds

About (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene

(14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene (PubChem CID 162977194) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene.

Molecular Properties

Compound Name(14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene
PubChem CID162977194
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene
SMILESCc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@@H]1CC[C@@](C)(C[C@H]41)O3
InChIInChI=1S/C23H25NO/c1-13-5-7-18-15(11-13)14-6-8-19-20-16-12-23(4,25-19)10-9-17(16)22(2,3)24(18)21(14)20/h5-8,11,16-17H,9-10,12H2,1-4H3/t16-,17+,23-/m0/s1
InChIKeySCQKOFCBSCEEQG-MFEFFIJZSA-N
XLogP5.89
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene?
The IUPAC name of (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene (CID 162977194) is (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene.
What is the SMILES notation for (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene?
The canonical SMILES for (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene is Cc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@@H]1CC[C@@](C)(C[C@H]41)O3.
What is the InChIKey of (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene?
The InChIKey is SCQKOFCBSCEEQG-MFEFFIJZSA-N. The full InChI is InChI=1S/C23H25NO/c1-13-5-7-18-15(11-13)14-6-8-19-20-16-12-23(4,25-19)10-9-17(16)22(2,3)24(18)21(14)20/h5-8,11,16-17H,9-10,12H2,1-4H3/t16-,17+,23-/m0/s1.
What are the key properties of (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene?
(14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene has a molecular weight of 331.46 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (14R,17S,19S)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene is sourced from PubChem (CID 162977194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).