N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine

C141H179N27O16 — CID 161298312

IUPACN',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine
SMILESCCN(CC)CCN(C)c1ccc2cc1OCCOCCOc1cccc(c1)-c1ccnc(n1)N2.CN(C)CCCN(C)c1ccc2cc1OCCOCCOc1cccc(c1)-c1ccnc(n1)N2.CN(C)CCCN1CCN(c2ccc3cc2OCCOCCOc2cccc(c2)-c2ccnc(n2)N3)CC1.CN1CCN(C2CCN(c3ccc4cc3OCCOCCOc3cccc(c3)-c3ccnc(n3)N4)CC2)CC1.c1cc2cc(c1)-c1ccnc(n1)Nc1ccc(N3CCC(N4CCOCC4)CC3)c(c1)OCCOCCO2
InChIInChI=1S/C30H38N6O3.C29H38N6O3.C29H35N5O4.C27H35N5O3.C26H33N5O3/c1-34-13-15-35(16-14-34)25-8-11-36(12-9-25)28-6-5-24-22-29(28)39-20-18-37-17-19-38-26-4-2-3-23(21-26)27-7-10-31-30(32-24)33-27;1-33(2)11-4-12-34-13-15-35(16-14-34)27-8-7-24-22-28(27)38-20-18-36-17-19-37-25-6-3-5-23(21-25)26-9-10-30-29(31-24)32-26;1-2-22-20-25(3-1)37-18-16-36-17-19-38-28-21-23(31-29-30-9-6-26(22)32-29)4-5-27(28)34-10-7-24(8-11-34)33-12-14-35-15-13-33;1-4-32(5-2)14-13-31(3)25-10-9-22-20-26(25)35-18-16-33-15-17-34-23-8-6-7-21(19-23)24-11-12-28-27(29-22)30-24;1-30(2)12-5-13-31(3)24-9-8-21-19-25(24)34-17-15-32-14-16-33-22-7-4-6-20(18-22)23-10-11-27-26(28-21)29-23/h2-7,10,21-22,25H,8-9,11-20H2,1H3,(H,31,32,33);3,5-10,21-22H,4,11-20H2,1-2H3,(H,30,31,32);1-6,9,20-21,24H,7-8,10-19H2,(H,30,31,32);6-12,19-20H,4-5,13-18H2,1-3H3,(H,28,29,30);4,6-11,18-19H,5,12-17H2,1-3H3,(H,27,28,29)
InChIKeyVHGPMBILWBLDHB-UHFFFAOYSA-N
MW2508.16 g/mol
LogP20.13
Rot. Bonds20

About N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine

N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine (PubChem CID 161298312) has the molecular formula C141H179N27O16 and a molecular weight of 2508.16 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine
PubChem CID161298312
Molecular FormulaC141H179N27O16
Molecular Weight2508.16 g/mol
Exact Mass2506.40
IUPAC NameN',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine
SMILESCCN(CC)CCN(C)c1ccc2cc1OCCOCCOc1cccc(c1)-c1ccnc(n1)N2.CN(C)CCCN(C)c1ccc2cc1OCCOCCOc1cccc(c1)-c1ccnc(n1)N2.CN(C)CCCN1CCN(c2ccc3cc2OCCOCCOc2cccc(c2)-c2ccnc(n2)N3)CC1.CN1CCN(C2CCN(c3ccc4cc3OCCOCCOc3cccc(c3)-c3ccnc(n3)N4)CC2)CC1.c1cc2cc(c1)-c1ccnc(n1)Nc1ccc(N3CCC(N4CCOCC4)CC3)c(c1)OCCOCCO2
InChIInChI=1S/C30H38N6O3.C29H38N6O3.C29H35N5O4.C27H35N5O3.C26H33N5O3/c1-34-13-15-35(16-14-34)25-8-11-36(12-9-25)28-6-5-24-22-29(28)39-20-18-37-17-19-38-26-4-2-3-23(21-26)27-7-10-31-30(32-24)33-27;1-33(2)11-4-12-34-13-15-35(16-14-34)27-8-7-24-22-28(27)38-20-18-36-17-19-37-25-6-3-5-23(21-25)26-9-10-30-29(31-24)32-26;1-2-22-20-25(3-1)37-18-16-36-17-19-38-28-21-23(31-29-30-9-6-26(22)32-29)4-5-27(28)34-10-7-24(8-11-34)33-12-14-35-15-13-33;1-4-32(5-2)14-13-31(3)25-10-9-22-20-26(25)35-18-16-33-15-17-34-23-8-6-7-21(19-23)24-11-12-28-27(29-22)30-24;1-30(2)12-5-13-31(3)24-9-8-21-19-25(24)34-17-15-32-14-16-33-22-7-4-6-20(18-22)23-10-11-27-26(28-21)29-23/h2-7,10,21-22,25H,8-9,11-20H2,1H3,(H,31,32,33);3,5-10,21-22H,4,11-20H2,1-2H3,(H,30,31,32);1-6,9,20-21,24H,7-8,10-19H2,(H,30,31,32);6-12,19-20H,4-5,13-18H2,1-3H3,(H,28,29,30);4,6-11,18-19H,5,12-17H2,1-3H3,(H,27,28,29)
InChIKeyVHGPMBILWBLDHB-UHFFFAOYSA-N
XLogP20.13
TPSA375.61 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds20
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002508.16
LogP ≤ 520.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine (CID 161298312) is N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine is CCN(CC)CCN(C)c1ccc2cc1OCCOCCOc1cccc(c1)-c1ccnc(n1)N2.CN(C)CCCN(C)c1ccc2cc1OCCOCCOc1cccc(c1)-c1ccnc(n1)N2.CN(C)CCCN1CCN(c2ccc3cc2OCCOCCOc2cccc(c2)-c2ccnc(n2)N3)CC1.CN1CCN(C2CCN(c3ccc4cc3OCCOCCOc3cccc(c3)-c3ccnc(n3)N4)CC2)CC1.c1cc2cc(c1)-c1ccnc(n1)Nc1ccc(N3CCC(N4CCOCC4)CC3)c(c1)OCCOCCO2.
What is the InChIKey of N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine?
The InChIKey is VHGPMBILWBLDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3.C29H38N6O3.C29H35N5O4.C27H35N5O3.C26H33N5O3/c1-34-13-15-35(16-14-34)25-8-11-36(12-9-25)28-6-5-24-22-29(28)39-20-18-37-17-19-38-26-4-2-3-23(21-26)27-7-10-31-30(32-24)33-27;1-33(2)11-4-12-34-13-15-35(16-14-34)27-8-7-24-22-28(27)38-20-18-36-17-19-37-25-6-3-5-23(21-25)26-9-10-30-29(31-24)32-26;1-2-22-20-25(3-1)37-18-16-36-17-19-38-28-21-23(31-29-30-9-6-26(22)32-29)4-5-27(28)34-10-7-24(8-11-34)33-12-14-35-15-13-33;1-4-32(5-2)14-13-31(3)25-10-9-22-20-26(25)35-18-16-33-15-17-34-23-8-6-7-21(19-23)24-11-12-28-27(29-22)30-24;1-30(2)12-5-13-31(3)24-9-8-21-19-25(24)34-17-15-32-14-16-33-22-7-4-6-20(18-22)23-10-11-27-26(28-21)29-23/h2-7,10,21-22,25H,8-9,11-20H2,1H3,(H,31,32,33);3,5-10,21-22H,4,11-20H2,1-2H3,(H,30,31,32);1-6,9,20-21,24H,7-8,10-19H2,(H,30,31,32);6-12,19-20H,4-5,13-18H2,1-3H3,(H,28,29,30);4,6-11,18-19H,5,12-17H2,1-3H3,(H,27,28,29).
What are the key properties of N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine?
N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine has a molecular weight of 2508.16 g/mol, XLogP of 20.13, 20 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)ethane-1,2-diamine;N,N-dimethyl-3-[4-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)piperazin-1-yl]propan-1-amine;11-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;11-(4-morpholin-4-ylpiperidin-1-yl)-13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene;N,N,N'-trimethyl-N'-(13,16,19-trioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaen-11-yl)propane-1,3-diamine is sourced from PubChem (CID 161298312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).