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

C32H33NO — CID 164815109

IUPAC2,20-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
SMILESCC(C)(C)c1ccc2c3c1oc1c(C(C)(C)C)cnc(c13)-c1ccc3ccccc3c1C2(C)C
InChIInChI=1S/C32H33NO/c1-30(2,3)22-16-15-21-24-25-27(33-17-23(31(4,5)6)29(25)34-28(22)24)20-14-13-18-11-9-10-12-19(18)26(20)32(21,7)8/h9-17H,1-8H3
InChIKeyRZYOGTUGKDDDMR-UHFFFAOYSA-N
MW447.62 g/mol
LogP9.04
Rot. Bonds

About 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

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 (PubChem CID 164815109) has the molecular formula C32H33NO and a molecular weight of 447.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,20-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
PubChem CID164815109
Molecular FormulaC32H33NO
Molecular Weight447.62 g/mol
Exact Mass447.26
IUPAC Name2,20-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
SMILESCC(C)(C)c1ccc2c3c1oc1c(C(C)(C)C)cnc(c13)-c1ccc3ccccc3c1C2(C)C
InChIInChI=1S/C32H33NO/c1-30(2,3)22-16-15-21-24-25-27(33-17-23(31(4,5)6)29(25)34-28(22)24)20-14-13-18-11-9-10-12-19(18)26(20)32(21,7)8/h9-17H,1-8H3
InChIKeyRZYOGTUGKDDDMR-UHFFFAOYSA-N
XLogP9.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

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
CID 164814304
CID 164814304
20-(2,2-dimethylpropyl)-16,16-dimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene
CID 164814946
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
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
12,12-dimethyl-9-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 156524410
15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816950
16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene
CID 164814707
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
12,12-dimethyl-2,16-bis(2-methylpropyl)-20-oxa-4-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1(19),2,4,6,8,10,13(18),14,16-nonaene
CID 164815426
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
6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139827

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c3c1oc1c(C(C)(C)C)cnc(c13)-c1ccc3ccccc3c1C2(C)C.
What is the InChIKey of 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?
The InChIKey is RZYOGTUGKDDDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO/c1-30(2,3)22-16-15-21-24-25-27(33-17-23(31(4,5)6)29(25)34-28(22)24)20-14-13-18-11-9-10-12-19(18)26(20)32(21,7)8/h9-17H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 447.62 g/mol, XLogP of 9.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164815109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).