15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

C25H21NO — CID 164748368

IUPAC15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
SMILESc1ccc2cc3c(cc2c1)Oc1cc(C2CCCCC2)cc2ccnc-3c12
InChIInChI=1S/C25H21NO/c1-2-6-16(7-3-1)20-12-19-10-11-26-25-21-13-17-8-4-5-9-18(17)14-22(21)27-23(15-20)24(19)25/h4-5,8-16H,1-3,6-7H2
InChIKeyRUIDCLLFIPCDBB-UHFFFAOYSA-N
MW351.45 g/mol
LogP7.21
Rot. Bonds1

About 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (PubChem CID 164748368) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.

Molecular Properties

Compound Name15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
PubChem CID164748368
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
SMILESc1ccc2cc3c(cc2c1)Oc1cc(C2CCCCC2)cc2ccnc-3c12
InChIInChI=1S/C25H21NO/c1-2-6-16(7-3-1)20-12-19-10-11-26-25-21-13-17-8-4-5-9-18(17)14-22(21)27-23(15-20)24(19)25/h4-5,8-16H,1-3,6-7H2
InChIKeyRUIDCLLFIPCDBB-UHFFFAOYSA-N
XLogP7.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The IUPAC name of 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (CID 164748368) is 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.
What is the SMILES notation for 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The canonical SMILES for 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is c1ccc2cc3c(cc2c1)Oc1cc(C2CCCCC2)cc2ccnc-3c12.
What is the InChIKey of 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The InChIKey is RUIDCLLFIPCDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-2-6-16(7-3-1)20-12-19-10-11-26-25-21-13-17-8-4-5-9-18(17)14-22(21)27-23(15-20)24(19)25/h4-5,8-16H,1-3,6-7H2.
What are the key properties of 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene has a molecular weight of 351.45 g/mol, XLogP of 7.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is sourced from PubChem (CID 164748368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).