23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide

C26H28F3N5O4 — CID 156831408

IUPAC23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide
SMILESCNC(=O)c1ccc2cc1Nc1nc(ncc1C(F)(F)F)Nc1ccc(OC)c(c1)OCCCCCCO2
InChIInChI=1S/C26H28F3N5O4/c1-30-24(35)18-9-8-17-14-20(18)33-23-19(26(27,28)29)15-31-25(34-23)32-16-7-10-21(36-2)22(13-16)38-12-6-4-3-5-11-37-17/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,30,35)(H2,31,32,33,34)
InChIKeyHVHWQVWCWKLHLE-UHFFFAOYSA-N
MW531.54 g/mol
LogP5.68
Rot. Bonds2

About 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide

23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide (PubChem CID 156831408) has the molecular formula C26H28F3N5O4 and a molecular weight of 531.54 g/mol. Its IUPAC name is 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide.

Molecular Properties

Compound Name23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide
PubChem CID156831408
Molecular FormulaC26H28F3N5O4
Molecular Weight531.54 g/mol
Exact Mass531.21
IUPAC Name23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide
SMILESCNC(=O)c1ccc2cc1Nc1nc(ncc1C(F)(F)F)Nc1ccc(OC)c(c1)OCCCCCCO2
InChIInChI=1S/C26H28F3N5O4/c1-30-24(35)18-9-8-17-14-20(18)33-23-19(26(27,28)29)15-31-25(34-23)32-16-7-10-21(36-2)22(13-16)38-12-6-4-3-5-11-37-17/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,30,35)(H2,31,32,33,34)
InChIKeyHVHWQVWCWKLHLE-UHFFFAOYSA-N
XLogP5.68
TPSA106.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.54
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide with MolForge

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Related Compounds

(17Z)-22-methoxy-N-methyl-6-(trifluoromethyl)-14,20-dioxa-2,4,8,27-tetrazatetracyclo[19.2.2.13,7.19,13]heptacosa-1(23),3,5,7(27),9,11,13(26),17,21,24-decaene-10-carboxamide
CID 156831414
methyl 6-(2,2,2-trifluoroethoxy)-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaene-13-carboxylate
CID 67475804
10-ethoxy-14-methoxy-N,25-dimethyl-20-(trifluoromethyl)-9-oxa-4,5,16,18,22,28-hexaza-10-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide
CID 130370723
methyl (2S)-3-amino-2-[[6-(2,2,2-trifluoroethoxy)-15,22-dioxa-3,5,7,9,29-pentazatetracyclo[21.2.2.14,8.110,14]nonacosa-1(26),4(29),5,7,10(28),11,13,23(27),24-nonaene-13-carbonyl]amino]propanoate
CID 54672836
10-ethoxy-14-methoxy-N,3-dimethyl-20-(trifluoromethyl)-9-oxa-4,5,16,18,22,25,28-heptaza-10-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide
CID 130370883
N-(2,2-dimethylbutyl)-6-(2,2,2-trifluoroethoxy)-15,22-dioxa-3,5,7,9,29-pentazatetracyclo[21.2.2.14,8.110,14]nonacosa-1(26),4(29),5,7,10(28),11,13,23(27),24-nonaene-13-carboxamide
CID 118502146
(7R,10S)-10-ethoxy-14-methoxy-N,7-dimethyl-10-oxo-20-(trifluoromethyl)-9-oxa-4,5,16,18,22,25,28-heptaza-10λ5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide
CID 140618256
(8R)-10-ethoxy-14-methoxy-N,8-dimethyl-10-oxo-20-(trifluoromethyl)-9-oxa-4,5,16,18,22,25,28-heptaza-10λ5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide
CID 118368987
(10R)-14-methoxy-N,7,7-trimethyl-10-oxo-10-propyl-20-(trifluoromethyl)-9-oxa-4,5,16,18,22,25,28-heptaza-10λ5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide
CID 140618233
methyl 6-(2,2,2-trifluoroethoxy)-15,23-dioxa-3,5,7,9,30-pentazatetracyclo[22.2.2.14,8.110,14]triaconta-1(27),4(30),5,7,10(29),11,13,18,24(28),25-decaene-13-carboxylate
CID 67475713
methyl 3-[[(19Z)-6-(2,2,2-trifluoroethoxy)-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,19,25(29),26-decaene-13-carbonyl]amino]propanoate
CID 54673322
(10R)-10-ethoxy-14-methoxy-N,N-dimethyl-10-oxo-20-(trifluoromethyl)-9-oxa-4,5,16,18,22,28-hexaza-10λ5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide
CID 140618218

Frequently Asked Questions

What is the IUPAC name of 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide?
The IUPAC name of 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide (CID 156831408) is 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide.
What is the SMILES notation for 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide?
The canonical SMILES for 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide is CNC(=O)c1ccc2cc1Nc1nc(ncc1C(F)(F)F)Nc1ccc(OC)c(c1)OCCCCCCO2.
What is the InChIKey of 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide?
The InChIKey is HVHWQVWCWKLHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O4/c1-30-24(35)18-9-8-17-14-20(18)33-23-19(26(27,28)29)15-31-25(34-23)32-16-7-10-21(36-2)22(13-16)38-12-6-4-3-5-11-37-17/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,30,35)(H2,31,32,33,34).
What are the key properties of 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide?
23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide has a molecular weight of 531.54 g/mol, XLogP of 5.68, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 23-methoxy-N-methyl-6-(trifluoromethyl)-14,21-dioxa-2,4,8,28-tetrazatetracyclo[20.3.1.13,7.19,13]octacosa-1(26),3,5,7(28),9,11,13(27),22,24-nonaene-10-carboxamide is sourced from PubChem (CID 156831408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).