N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide

C172H164ClF6N27O15 — CID 161374788

About N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide

N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide (PubChem CID 161374788) has the molecular formula C172H164ClF6N27O15 and a molecular weight of 2998.82 g/mol. Its IUPAC name is N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide.

Molecular Properties

• Compound Name: N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide
• PubChem CID: 161374788
• Molecular Formula: C172H164ClF6N27O15
• Molecular Weight: 2998.82 g/mol
• Exact Mass: 2996.25
• IUPAC Name: N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide
• SMILES: C=CC(=O)CCc1ccc(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)cc1.C=CC(=O)Cc1cccc(C(=O)Nc2cc3cc(c2)Nc2ncc(C(F)(F)F)c(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)c1.C=CC(=O)Cc1cccc(C(=O)Nc2cc3cc(c2)Nc2ncc(Cl)c(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)c1.C=CC(=O)NCc1cccc(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)c1.C=CC(=O)Nc1ccc(C(=O)Nc2cc3cc(c2)Nc2ncc(C(F)(F)F)c(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)cc1
• InChI: InChI=1S/C35H32F3N5O3.C35H35N5O3.C34H32ClN5O3.C34H31F3N6O3.C34H34N6O3/c1-3-29(44)18-23-9-7-11-26(15-23)33(45)40-27-16-24-17-28(20-27)41-34-39-21-31(35(36,37)38)32(42-34)25-10-8-12-30(19-25)46-14-6-4-5-13-43(2)22-24;1-3-31(41)15-12-25-10-13-27(14-11-25)34(42)37-29-20-26-21-30(23-29)38-35-36-17-16-33(39-35)28-8-7-9-32(22-28)43-19-6-4-5-18-40(2)24-26;1-3-29(41)18-23-9-7-11-26(15-23)33(42)37-27-16-24-17-28(20-27)38-34-36-21-31(35)32(39-34)25-10-8-12-30(19-25)43-14-6-4-5-13-40(2)22-24;1-3-30(44)39-25-12-10-23(11-13-25)32(45)40-26-16-22-17-27(19-26)41-33-38-20-29(34(35,36)37)31(42-33)24-8-7-9-28(18-24)46-15-6-4-5-14-43(2)21-22;1-3-32(41)36-22-24-9-7-11-27(17-24)33(42)37-28-18-25-19-29(21-28)38-34-35-14-13-31(39-34)26-10-8-12-30(20-26)43-16-6-4-5-15-40(2)23-25/h3-5,7-12,15-17,19-21H,1,6,13-14,18,22H2,2H3,(H,40,45)(H,39,41,42);3-5,7-11,13-14,16-17,20-23H,1,6,12,15,18-19,24H2,2H3,(H,37,42)(H,36,38,39);3-5,7-12,15-17,19-21H,1,6,13-14,18,22H2,2H3,(H,37,42)(H,36,38,39);3-5,7-13,16-20H,1,6,14-15,21H2,2H3,(H,39,44)(H,40,45)(H,38,41,42);3-5,7-14,17-21H,1,6,15-16,22-23H2,2H3,(H,36,41)(H,37,42)(H,35,38,39)/b5*5-4-
• InChIKey: VQXXAKURQBICBW-PEVBFJFMSA-N
• XLogP: 33.45
• TPSA: 506.31 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2998.82
LogP ≤ 5	33.45
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide?

The IUPAC name of N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide (CID 161374788) is N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide.

What is the SMILES notation for N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide?

The canonical SMILES for N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide is C=CC(=O)CCc1ccc(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)cc1.C=CC(=O)Cc1cccc(C(=O)Nc2cc3cc(c2)Nc2ncc(C(F)(F)F)c(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)c1.C=CC(=O)Cc1cccc(C(=O)Nc2cc3cc(c2)Nc2ncc(Cl)c(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)c1.C=CC(=O)NCc1cccc(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)c1.C=CC(=O)Nc1ccc(C(=O)Nc2cc3cc(c2)Nc2ncc(C(F)(F)F)c(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)cc1.

What is the InChIKey of N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide?

The InChIKey is VQXXAKURQBICBW-PEVBFJFMSA-N. The full InChI is InChI=1S/C35H32F3N5O3.C35H35N5O3.C34H32ClN5O3.C34H31F3N6O3.C34H34N6O3/c1-3-29(44)18-23-9-7-11-26(15-23)33(45)40-27-16-24-17-28(20-27)41-34-39-21-31(35(36,37)38)32(42-34)25-10-8-12-30(19-25)46-14-6-4-5-13-43(2)22-24;1-3-31(41)15-12-25-10-13-27(14-11-25)34(42)37-29-20-26-21-30(23-29)38-35-36-17-16-33(39-35)28-8-7-9-32(22-28)43-19-6-4-5-18-40(2)24-26;1-3-29(41)18-23-9-7-11-26(15-23)33(42)37-27-16-24-17-28(20-27)38-34-36-21-31(35)32(39-34)25-10-8-12-30(19-25)43-14-6-4-5-13-40(2)22-24;1-3-30(44)39-25-12-10-23(11-13-25)32(45)40-26-16-22-17-27(19-26)41-33-38-20-29(34(35,36)37)31(42-33)24-8-7-9-28(18-24)46-15-6-4-5-14-43(2)21-22;1-3-32(41)36-22-24-9-7-11-27(17-24)33(42)37-28-18-25-19-29(21-28)38-34-35-14-13-31(39-34)26-10-8-12-30(20-26)43-16-6-4-5-15-40(2)23-25/h3-5,7-12,15-17,19-21H,1,6,13-14,18,22H2,2H3,(H,40,45)(H,39,41,42);3-5,7-11,13-14,16-17,20-23H,1,6,12,15,18-19,24H2,2H3,(H,37,42)(H,36,38,39);3-5,7-12,15-17,19-21H,1,6,13-14,18,22H2,2H3,(H,37,42)(H,36,38,39);3-5,7-13,16-20H,1,6,14-15,21H2,2H3,(H,39,44)(H,40,45)(H,38,41,42);3-5,7-14,17-21H,1,6,15-16,22-23H2,2H3,(H,36,41)(H,37,42)(H,35,38,39)/b5*5-4-.

What are the key properties of N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide?

N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide has a molecular weight of 2998.82 g/mol, XLogP of 33.45, 25 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 161374788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).