1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene

C23H27NO2 — CID 162295910

IUPAC1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene
SMILESCc1cccc2c1N1C(C)c3c(oc4ccoc34)C1(C)C(C)(C)C2(C)C
InChIInChI=1S/C23H27NO2/c1-13-9-8-10-15-18(13)24-14(2)17-19-16(11-12-25-19)26-20(17)23(24,7)22(5,6)21(15,3)4/h8-12,14H,1-7H3
InChIKeyKDAFUBZIPXLBJQ-UHFFFAOYSA-N
MW349.47 g/mol
LogP6.45
Rot. Bonds

About 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene

1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene (PubChem CID 162295910) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene.

Molecular Properties

Compound Name1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene
PubChem CID162295910
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene
SMILESCc1cccc2c1N1C(C)c3c(oc4ccoc34)C1(C)C(C)(C)C2(C)C
InChIInChI=1S/C23H27NO2/c1-13-9-8-10-15-18(13)24-14(2)17-19-16(11-12-25-19)26-20(17)23(24,7)22(5,6)21(15,3)4/h8-12,14H,1-7H3
InChIKeyKDAFUBZIPXLBJQ-UHFFFAOYSA-N
XLogP6.45
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene?
The IUPAC name of 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene (CID 162295910) is 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene.
What is the SMILES notation for 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene?
The canonical SMILES for 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene is Cc1cccc2c1N1C(C)c3c(oc4ccoc34)C1(C)C(C)(C)C2(C)C.
What is the InChIKey of 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene?
The InChIKey is KDAFUBZIPXLBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-13-9-8-10-15-18(13)24-14(2)17-19-16(11-12-25-19)26-20(17)23(24,7)22(5,6)21(15,3)4/h8-12,14H,1-7H3.
What are the key properties of 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene?
1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene has a molecular weight of 349.47 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene is sourced from PubChem (CID 162295910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).