8,10-dimethyl-15-(3-methylbutan-2-yl)-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

C26H25NO — CID 176881011

IUPAC8,10-dimethyl-15-(3-methylbutan-2-yl)-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
SMILESCc1cccc2cc3c(c(C)c12)Oc1cc(C(C)C(C)C)cc2ccnc-3c12
InChIInChI=1S/C26H25NO/c1-14(2)16(4)20-11-19-9-10-27-25-21-12-18-8-6-7-15(3)23(18)17(5)26(21)28-22(13-20)24(19)25/h6-14,16H,1-5H3
InChIKeyICNSITDRTKGJMG-UHFFFAOYSA-N
MW367.49 g/mol
LogP7.54
Rot. Bonds2

About 8,10-dimethyl-15-(3-methylbutan-2-yl)-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

8,10-dimethyl-15-(3-methylbutan-2-yl)-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 176881011) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 8,10-dimethyl-15-(3-methylbutan-2-yl)-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 Name8,10-dimethyl-15-(3-methylbutan-2-yl)-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 CID176881011
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name8,10-dimethyl-15-(3-methylbutan-2-yl)-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
SMILESCc1cccc2cc3c(c(C)c12)Oc1cc(C(C)C(C)C)cc2ccnc-3c12
InChIInChI=1S/C26H25NO/c1-14(2)16(4)20-11-19-9-10-27-25-21-12-18-8-6-7-15(3)23(18)17(5)26(21)28-22(13-20)24(19)25/h6-14,16H,1-5H3
InChIKeyICNSITDRTKGJMG-UHFFFAOYSA-N
XLogP7.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,10-dimethyl-15-(3-methylbutan-2-yl)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-15-(3-methylbutan-2-yl)-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 8,10-dimethyl-15-(3-methylbutan-2-yl)-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 176881011) is 8,10-dimethyl-15-(3-methylbutan-2-yl)-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 8,10-dimethyl-15-(3-methylbutan-2-yl)-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 8,10-dimethyl-15-(3-methylbutan-2-yl)-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 Cc1cccc2cc3c(c(C)c12)Oc1cc(C(C)C(C)C)cc2ccnc-3c12.
What is the InChIKey of 8,10-dimethyl-15-(3-methylbutan-2-yl)-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 ICNSITDRTKGJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-14(2)16(4)20-11-19-9-10-27-25-21-12-18-8-6-7-15(3)23(18)17(5)26(21)28-22(13-20)24(19)25/h6-14,16H,1-5H3.
What are the key properties of 8,10-dimethyl-15-(3-methylbutan-2-yl)-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?
8,10-dimethyl-15-(3-methylbutan-2-yl)-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 367.49 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-15-(3-methylbutan-2-yl)-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 176881011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).