2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol

C26H36N6O3 — CID 172573694

IUPAC2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol
SMILESCCOc1nn(CCO)c2c1/C=C/Cc1ccnc(c1)-c1c(C)nn(C)c1OCC(C)N(CC)C2
InChIInChI=1S/C26H36N6O3/c1-6-31-16-23-21(25(34-7-2)29-32(23)13-14-33)10-8-9-20-11-12-27-22(15-20)24-19(4)28-30(5)26(24)35-17-18(31)3/h8,10-12,15,18,33H,6-7,9,13-14,16-17H2,1-5H3/b10-8+
InChIKeyFLZPCWCXWKIFNR-CSKARUKUSA-N
MW480.61 g/mol
LogP3.24
Rot. Bonds5

About 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol

2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol (PubChem CID 172573694) has the molecular formula C26H36N6O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol.

Molecular Properties

Compound Name2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol
PubChem CID172573694
Molecular FormulaC26H36N6O3
Molecular Weight480.61 g/mol
Exact Mass480.28
IUPAC Name2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol
SMILESCCOc1nn(CCO)c2c1/C=C/Cc1ccnc(c1)-c1c(C)nn(C)c1OCC(C)N(CC)C2
InChIInChI=1S/C26H36N6O3/c1-6-31-16-23-21(25(34-7-2)29-32(23)13-14-33)10-8-9-20-11-12-27-22(15-20)24-19(4)28-30(5)26(24)35-17-18(31)3/h8,10-12,15,18,33H,6-7,9,13-14,16-17H2,1-5H3/b10-8+
InChIKeyFLZPCWCXWKIFNR-CSKARUKUSA-N
XLogP3.24
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol 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

2-[(8R,17E)-15-ethoxy-10-ethyl-3,5,8-trimethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaen-13-yl]ethanol
CID 172573004
CID 172573197
CID 172573197
2-[(17E)-10-cyclopropyl-15-ethoxy-3,5,8-trimethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaen-13-yl]ethanol
CID 172572956
2-[(8S,17E)-15-ethoxy-3,5,8-trimethyl-10-propan-2-yl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaen-13-yl]ethanol
CID 172572799
2-[(9S,17E)-15-ethoxy-9-ethyl-5,10-dimethyl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaen-13-yl]ethanol
CID 170448246
2-[[(8R,17E)-10-ethyl-13-(2-hydroxyethyl)-21-iodophosphanyl-3,5,8-trimethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaen-15-yl]oxy]acetonitrile
CID 172573431
2-[(8S,17E)-10-ethyl-3,5,8-trimethyl-15-[2-(methylideneamino)ethoxy]-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaen-13-yl]ethanol
CID 172573736
2-[(8S,12S,20E)-18-ethoxy-5,10,13-trimethyl-7-oxa-4,5,10,13,16,17,23,24-octazahexacyclo[20.5.2.02,6.08,12.015,19.025,29]nonacosa-1(28),2(6),3,15(19),17,20,22(29),24,26-nonaen-16-yl]ethanol
CID 170450082
2-[[(9R,17E)-10-(2-fluoroethyl)-13-[(2S)-1-hydroxypropan-2-yl]-3,5,9,23-tetramethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaen-15-yl]oxy]acetonitrile
CID 172573290
2-[[(9S,17Z)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5,9,10-tetramethyl-21-(oxan-2-yl)-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaen-15-yl]oxy]acetonitrile
CID 172573271
2-[(8S,17E)-10-ethyl-3,5,8,15-tetramethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaen-13-yl]ethanol
CID 172573563
2-[(17E)-15-ethoxy-5,8,10,23-tetramethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaen-13-yl]ethanol
CID 172573467

Frequently Asked Questions

What is the IUPAC name of 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol?
The IUPAC name of 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol (CID 172573694) is 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol.
What is the SMILES notation for 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol?
The canonical SMILES for 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol is CCOc1nn(CCO)c2c1/C=C/Cc1ccnc(c1)-c1c(C)nn(C)c1OCC(C)N(CC)C2.
What is the InChIKey of 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol?
The InChIKey is FLZPCWCXWKIFNR-CSKARUKUSA-N. The full InChI is InChI=1S/C26H36N6O3/c1-6-31-16-23-21(25(34-7-2)29-32(23)13-14-33)10-8-9-20-11-12-27-22(15-20)24-19(4)28-30(5)26(24)35-17-18(31)3/h8,10-12,15,18,33H,6-7,9,13-14,16-17H2,1-5H3/b10-8+.
What are the key properties of 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol?
2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol has a molecular weight of 480.61 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(17E)-15-ethoxy-10-ethyl-3,5,9-trimethyl-7-oxa-4,5,10,13,14,23-hexazatetracyclo[18.3.1.02,6.012,16]tetracosa-1(23),2(6),3,12(16),14,17,20(24),21-octaen-13-yl]ethanol is sourced from PubChem (CID 172573694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).