2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene

C30H29NO — CID 164815337

About 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene

2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene (PubChem CID 164815337) has the molecular formula C30H29NO and a molecular weight of 419.57 g/mol. Its IUPAC name is 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene.

Molecular Properties

• Compound Name: 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene
• PubChem CID: 164815337
• Molecular Formula: C30H29NO
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.22
• IUPAC Name: 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene
• SMILES: Cc1ccc2c3c(ccc2c1)-c1ncc(C)c2oc4c(CC(C)C)ccc(c4c12)C3(C)C
• InChI: InChI=1S/C30H29NO/c1-16(2)13-20-9-12-23-24-25-27(31-15-18(4)28(25)32-29(20)24)22-11-8-19-14-17(3)7-10-21(19)26(22)30(23,5)6/h7-12,14-16H,13H2,1-6H3
• InChIKey: IJTSUJSUAHZIRU-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene?

The IUPAC name of 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene (CID 164815337) is 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene.

What is the SMILES notation for 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene?

The canonical SMILES for 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene is Cc1ccc2c3c(ccc2c1)-c1ncc(C)c2oc4c(CC(C)C)ccc(c4c12)C3(C)C.

What is the InChIKey of 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene?

The InChIKey is IJTSUJSUAHZIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO/c1-16(2)13-20-9-12-23-24-25-27(31-15-18(4)28(25)32-29(20)24)22-11-8-19-14-17(3)7-10-21(19)26(22)30(23,5)6/h7-12,14-16H,13H2,1-6H3.

What are the key properties of 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene?

2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene has a molecular weight of 419.57 g/mol, XLogP of 8.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene is sourced from PubChem (CID 164815337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).