20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene

C31H31NO — CID 164814572

About 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene

20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene (PubChem CID 164814572) has the molecular formula C31H31NO and a molecular weight of 433.60 g/mol. Its IUPAC name is 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene.

Molecular Properties

• Compound Name: 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene
• PubChem CID: 164814572
• Molecular Formula: C31H31NO
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.24
• IUPAC Name: 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene
• SMILES: Cc1ccc2cc3c(cc2c1)C(C)(C)c1ccc(CC(C)(C)C)c2oc4c(C)cnc-3c4c12
• InChI: InChI=1S/C31H31NO/c1-17-8-9-19-13-22-24(14-21(19)12-17)31(6,7)23-11-10-20(15-30(3,4)5)29-25(23)26-27(22)32-16-18(2)28(26)33-29/h8-14,16H,15H2,1-7H3
• InChIKey: TXQYUCBDGINXTI-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene?

The IUPAC name of 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene (CID 164814572) is 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene.

What is the SMILES notation for 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene?

The canonical SMILES for 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene is Cc1ccc2cc3c(cc2c1)C(C)(C)c1ccc(CC(C)(C)C)c2oc4c(C)cnc-3c4c12.

What is the InChIKey of 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene?

The InChIKey is TXQYUCBDGINXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-17-8-9-19-13-22-24(14-21(19)12-17)31(6,7)23-11-10-20(15-30(3,4)5)29-25(23)26-27(22)32-16-18(2)28(26)33-29/h8-14,16H,15H2,1-7H3.

What are the key properties of 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene?

20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene has a molecular weight of 433.60 g/mol, XLogP of 8.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene is sourced from PubChem (CID 164814572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).