N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde

C126H131N17O25 — CID 158060903

IUPACN-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde
SMILESCCCCNC(=O)C(=O)[C@@H]1C/C=C/COCCOCc2ccccc2C(=O)N1.CCNC(=O)C(=O)[C@@H]1Cc2ccc(cc2)OC/C=C/COc2cccc(c2)-c2ccn(n2)-c2ncccc2C(=O)N1.CCOC(=O)CCNC(=O)C(=O)[C@@H]1C/C=C/COCCOCc2ccccc2C(=O)N1.O=C[C@@H]1Cc2ccc(cc2)OC/C=C/COc2ccc3c(cnn3-c3ncccc3C(=O)N1)c2.O=C[C@@H]1Cc2ccc(cc2)OCCCCOc2ccc3c(cnn3-c3ncccc3C(=O)N1)c2
InChIInChI=1S/C31H29N5O5.C26H24N4O4.C26H22N4O4.C22H28N2O7.C21H28N2O5/c1-2-32-31(39)28(37)27-19-21-10-12-23(13-11-21)40-17-3-4-18-41-24-8-5-7-22(20-24)26-14-16-36(35-26)29-25(30(38)34-27)9-6-15-33-29;2*31-17-20-14-18-5-7-21(8-6-18)33-12-1-2-13-34-22-9-10-24-19(15-22)16-28-30(24)25-23(26(32)29-20)4-3-11-27-25;1-2-31-19(25)10-11-23-22(28)20(26)18-9-5-6-12-29-13-14-30-15-16-7-3-4-8-17(16)21(27)24-18;1-2-3-11-22-21(26)19(24)18-10-6-7-12-27-13-14-28-15-16-8-4-5-9-17(16)20(25)23-18/h3-16,20,27H,2,17-19H2,1H3,(H,32,39)(H,34,38);3-11,15-17,20H,1-2,12-14H2,(H,29,32);1-11,15-17,20H,12-14H2,(H,29,32);3-8,18H,2,9-15H2,1H3,(H,23,28)(H,24,27);4-9,18H,2-3,10-15H2,1H3,(H,22,26)(H,23,25)/b4-3+;;2-1+;6-5+;7-6+/t27-;2*20-;2*18-/m00000/s1
InChIKeyFKPZCPARDUTCIQ-CAESFHQQSA-N
MW2283.53 g/mol
LogP12.79
Rot. Bonds16

About N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde

N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde (PubChem CID 158060903) has the molecular formula C126H131N17O25 and a molecular weight of 2283.53 g/mol. Its IUPAC name is N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde.

Molecular Properties

Compound NameN-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde
PubChem CID158060903
Molecular FormulaC126H131N17O25
Molecular Weight2283.53 g/mol
Exact Mass2281.95
IUPAC NameN-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde
SMILESCCCCNC(=O)C(=O)[C@@H]1C/C=C/COCCOCc2ccccc2C(=O)N1.CCNC(=O)C(=O)[C@@H]1Cc2ccc(cc2)OC/C=C/COc2cccc(c2)-c2ccn(n2)-c2ncccc2C(=O)N1.CCOC(=O)CCNC(=O)C(=O)[C@@H]1C/C=C/COCCOCc2ccccc2C(=O)N1.O=C[C@@H]1Cc2ccc(cc2)OC/C=C/COc2ccc3c(cnn3-c3ncccc3C(=O)N1)c2.O=C[C@@H]1Cc2ccc(cc2)OCCCCOc2ccc3c(cnn3-c3ncccc3C(=O)N1)c2
InChIInChI=1S/C31H29N5O5.C26H24N4O4.C26H22N4O4.C22H28N2O7.C21H28N2O5/c1-2-32-31(39)28(37)27-19-21-10-12-23(13-11-21)40-17-3-4-18-41-24-8-5-7-22(20-24)26-14-16-36(35-26)29-25(30(38)34-27)9-6-15-33-29;2*31-17-20-14-18-5-7-21(8-6-18)33-12-1-2-13-34-22-9-10-24-19(15-22)16-28-30(24)25-23(26(32)29-20)4-3-11-27-25;1-2-31-19(25)10-11-23-22(28)20(26)18-9-5-6-12-29-13-14-30-15-16-7-3-4-8-17(16)21(27)24-18;1-2-3-11-22-21(26)19(24)18-10-6-7-12-27-13-14-28-15-16-8-4-5-9-17(16)20(25)23-18/h3-16,20,27H,2,17-19H2,1H3,(H,32,39)(H,34,38);3-11,15-17,20H,1-2,12-14H2,(H,29,32);1-11,15-17,20H,12-14H2,(H,29,32);3-8,18H,2,9-15H2,1H3,(H,23,28)(H,24,27);4-9,18H,2-3,10-15H2,1H3,(H,22,26)(H,23,25)/b4-3+;;2-1+;6-5+;7-6+/t27-;2*20-;2*18-/m00000/s1
InChIKeyFKPZCPARDUTCIQ-CAESFHQQSA-N
XLogP12.79
TPSA528.88 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms168
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002283.53
LogP ≤ 512.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde?
The IUPAC name of N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde (CID 158060903) is N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde.
What is the SMILES notation for N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde?
The canonical SMILES for N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde is CCCCNC(=O)C(=O)[C@@H]1C/C=C/COCCOCc2ccccc2C(=O)N1.CCNC(=O)C(=O)[C@@H]1Cc2ccc(cc2)OC/C=C/COc2cccc(c2)-c2ccn(n2)-c2ncccc2C(=O)N1.CCOC(=O)CCNC(=O)C(=O)[C@@H]1C/C=C/COCCOCc2ccccc2C(=O)N1.O=C[C@@H]1Cc2ccc(cc2)OC/C=C/COc2ccc3c(cnn3-c3ncccc3C(=O)N1)c2.O=C[C@@H]1Cc2ccc(cc2)OCCCCOc2ccc3c(cnn3-c3ncccc3C(=O)N1)c2.
What is the InChIKey of N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde?
The InChIKey is FKPZCPARDUTCIQ-CAESFHQQSA-N. The full InChI is InChI=1S/C31H29N5O5.C26H24N4O4.C26H22N4O4.C22H28N2O7.C21H28N2O5/c1-2-32-31(39)28(37)27-19-21-10-12-23(13-11-21)40-17-3-4-18-41-24-8-5-7-22(20-24)26-14-16-36(35-26)29-25(30(38)34-27)9-6-15-33-29;2*31-17-20-14-18-5-7-21(8-6-18)33-12-1-2-13-34-22-9-10-24-19(15-22)16-28-30(24)25-23(26(32)29-20)4-3-11-27-25;1-2-31-19(25)10-11-23-22(28)20(26)18-9-5-6-12-29-13-14-30-15-16-7-3-4-8-17(16)21(27)24-18;1-2-3-11-22-21(26)19(24)18-10-6-7-12-27-13-14-28-15-16-8-4-5-9-17(16)20(25)23-18/h3-16,20,27H,2,17-19H2,1H3,(H,32,39)(H,34,38);3-11,15-17,20H,1-2,12-14H2,(H,29,32);1-11,15-17,20H,12-14H2,(H,29,32);3-8,18H,2,9-15H2,1H3,(H,23,28)(H,24,27);4-9,18H,2-3,10-15H2,1H3,(H,22,26)(H,23,25)/b4-3+;;2-1+;6-5+;7-6+/t27-;2*20-;2*18-/m00000/s1.
What are the key properties of N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde?
N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde has a molecular weight of 2283.53 g/mol, XLogP of 12.79, 16 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide;ethyl 3-[[2-oxo-2-[(8E,11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetyl]amino]propanoate;N-ethyl-2-oxo-2-[(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-3-yl]acetamide;(3S)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),26(30),27-decaene-3-carbaldehyde;(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaene-3-carbaldehyde is sourced from PubChem (CID 158060903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).