20-tert-butyl-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

C30H29NO — CID 164814467

IUPAC20-tert-butyl-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
SMILESCc1ccc2cc3c(cc2c1)C(C)(C)c1ccc(C(C)(C)C)c2oc4c(C)cnc-3c4c12
InChIInChI=1S/C30H29NO/c1-16-8-9-18-13-20-23(14-19(18)12-16)30(6,7)21-10-11-22(29(3,4)5)28-24(21)25-26(20)31-15-17(2)27(25)32-28/h8-15H,1-7H3
InChIKeyNQGOSWZIYIWLCR-UHFFFAOYSA-N
MW419.57 g/mol
LogP8.35
Rot. Bonds

About 20-tert-butyl-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-tert-butyl-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 164814467) has the molecular formula C30H29NO and a molecular weight of 419.57 g/mol. Its IUPAC name is 20-tert-butyl-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 Name20-tert-butyl-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 CID164814467
Molecular FormulaC30H29NO
Molecular Weight419.57 g/mol
Exact Mass419.22
IUPAC Name20-tert-butyl-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
SMILESCc1ccc2cc3c(cc2c1)C(C)(C)c1ccc(C(C)(C)C)c2oc4c(C)cnc-3c4c12
InChIInChI=1S/C30H29NO/c1-16-8-9-18-13-20-23(14-19(18)12-16)30(6,7)21-10-11-22(29(3,4)5)28-24(21)25-26(20)31-15-17(2)27(25)32-28/h8-15H,1-7H3
InChIKeyNQGOSWZIYIWLCR-UHFFFAOYSA-N
XLogP8.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 20-tert-butyl-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 with MolForge

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Related Compounds

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
2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene
CID 164814700
2,20-ditert-butyl-16,16-dimethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene
CID 164815109
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
6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 145162693
12,12,15-trimethyl-7,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 164748235
6-tert-butyl-N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 90140228
CID 164814896
CID 164814896
6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139827
CID 164815306
CID 164815306
trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane
CID 164814308
12,16,16-trimethyl-20-propan-2-yl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaene
CID 164815447

Frequently Asked Questions

What is the IUPAC name of 20-tert-butyl-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-tert-butyl-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 164814467) is 20-tert-butyl-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-tert-butyl-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-tert-butyl-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(C(C)(C)C)c2oc4c(C)cnc-3c4c12.
What is the InChIKey of 20-tert-butyl-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 NQGOSWZIYIWLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO/c1-16-8-9-18-13-20-23(14-19(18)12-16)30(6,7)21-10-11-22(29(3,4)5)28-24(21)25-26(20)31-15-17(2)27(25)32-28/h8-15H,1-7H3.
What are the key properties of 20-tert-butyl-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-tert-butyl-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 419.57 g/mol, XLogP of 8.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-tert-butyl-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 164814467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).