7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one

C123H150N22O21 — CID 157106637

IUPAC7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
SMILESCOCC1(COC)C(=O)N(CC(=O)N2CCOCC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCC1(COC)C(=O)N(CC(=O)NC2CC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCC1(COC)C(=O)N(CC(C)C)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCC1(COC)C(=O)N(CCCO)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCCOCCN1C(=O)C(COC)(COC)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4
InChIInChI=1S/C26H31N5O5.C25H29N5O4.C25H32N4O5.C24H30N4O3.C23H28N4O4/c1-34-14-26(15-35-2)19-11-20-18(17-5-3-4-16-12-27-29-23(16)24(17)28-20)10-21(19)31(25(26)33)13-22(32)30-6-8-36-9-7-30;1-33-12-25(13-34-2)18-9-19-17(16-5-3-4-14-10-26-29-22(14)23(16)28-19)8-20(18)30(24(25)32)11-21(31)27-15-6-7-15;1-31-9-10-34-8-7-29-21-11-18-17-6-4-5-16-13-26-28-22(16)23(17)27-20(18)12-19(21)25(14-32-2,15-33-3)24(29)30;1-14(2)11-28-20-8-17-16-7-5-6-15-10-25-27-21(15)22(16)26-19(17)9-18(20)24(12-30-3,13-31-4)23(28)29;1-30-12-23(13-31-2)17-10-18-16(9-19(17)27(22(23)29)7-4-8-28)15-6-3-5-14-11-24-26-20(14)21(15)25-18/h10-12,28H,3-9,13-15H2,1-2H3,(H,27,29);8-10,15,28H,3-7,11-13H2,1-2H3,(H,26,29)(H,27,31);11-13,27H,4-10,14-15H2,1-3H3,(H,26,28);8-10,14,26H,5-7,11-13H2,1-4H3,(H,25,27);9-11,25,28H,3-8,12-13H2,1-2H3,(H,24,26)
InChIKeyAGJJZXDNGFXRGK-UHFFFAOYSA-N
MW2272.69 g/mol
LogP12.46
Rot. Bonds36

About 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one

7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one (PubChem CID 157106637) has the molecular formula C123H150N22O21 and a molecular weight of 2272.69 g/mol. Its IUPAC name is 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one.

Molecular Properties

Compound Name7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
PubChem CID157106637
Molecular FormulaC123H150N22O21
Molecular Weight2272.69 g/mol
Exact Mass2271.13
IUPAC Name7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
SMILESCOCC1(COC)C(=O)N(CC(=O)N2CCOCC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCC1(COC)C(=O)N(CC(=O)NC2CC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCC1(COC)C(=O)N(CC(C)C)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCC1(COC)C(=O)N(CCCO)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCCOCCN1C(=O)C(COC)(COC)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4
InChIInChI=1S/C26H31N5O5.C25H29N5O4.C25H32N4O5.C24H30N4O3.C23H28N4O4/c1-34-14-26(15-35-2)19-11-20-18(17-5-3-4-16-12-27-29-23(16)24(17)28-20)10-21(19)31(25(26)33)13-22(32)30-6-8-36-9-7-30;1-33-12-25(13-34-2)18-9-19-17(16-5-3-4-14-10-26-29-22(14)23(16)28-19)8-20(18)30(24(25)32)11-21(31)27-15-6-7-15;1-31-9-10-34-8-7-29-21-11-18-17-6-4-5-16-13-26-28-22(16)23(17)27-20(18)12-19(21)25(14-32-2,15-33-3)24(29)30;1-14(2)11-28-20-8-17-16-7-5-6-15-10-25-27-21(15)22(16)26-19(17)9-18(20)24(12-30-3,13-31-4)23(28)29;1-30-12-23(13-31-2)17-10-18-16(9-19(17)27(22(23)29)7-4-8-28)15-6-3-5-14-11-24-26-20(14)21(15)25-18/h10-12,28H,3-9,13-15H2,1-2H3,(H,27,29);8-10,15,28H,3-7,11-13H2,1-2H3,(H,26,29)(H,27,31);11-13,27H,4-10,14-15H2,1-3H3,(H,26,28);8-10,14,26H,5-7,11-13H2,1-4H3,(H,25,27);9-11,25,28H,3-8,12-13H2,1-2H3,(H,24,26)
InChIKeyAGJJZXDNGFXRGK-UHFFFAOYSA-N
XLogP12.46
TPSA513.53 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002272.69
LogP ≤ 512.46
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?
The IUPAC name of 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one (CID 157106637) is 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one.
What is the SMILES notation for 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?
The canonical SMILES for 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one is COCC1(COC)C(=O)N(CC(=O)N2CCOCC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCC1(COC)C(=O)N(CC(=O)NC2CC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCC1(COC)C(=O)N(CC(C)C)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCC1(COC)C(=O)N(CCCO)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.COCCOCCN1C(=O)C(COC)(COC)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.
What is the InChIKey of 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?
The InChIKey is AGJJZXDNGFXRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O5.C25H29N5O4.C25H32N4O5.C24H30N4O3.C23H28N4O4/c1-34-14-26(15-35-2)19-11-20-18(17-5-3-4-16-12-27-29-23(16)24(17)28-20)10-21(19)31(25(26)33)13-22(32)30-6-8-36-9-7-30;1-33-12-25(13-34-2)18-9-19-17(16-5-3-4-14-10-26-29-22(14)23(16)28-19)8-20(18)30(24(25)32)11-21(31)27-15-6-7-15;1-31-9-10-34-8-7-29-21-11-18-17-6-4-5-16-13-26-28-22(16)23(17)27-20(18)12-19(21)25(14-32-2,15-33-3)24(29)30;1-14(2)11-28-20-8-17-16-7-5-6-15-10-25-27-21(15)22(16)26-19(17)9-18(20)24(12-30-3,13-31-4)23(28)29;1-30-12-23(13-31-2)17-10-18-16(9-19(17)27(22(23)29)7-4-8-28)15-6-3-5-14-11-24-26-20(14)21(15)25-18/h10-12,28H,3-9,13-15H2,1-2H3,(H,27,29);8-10,15,28H,3-7,11-13H2,1-2H3,(H,26,29)(H,27,31);11-13,27H,4-10,14-15H2,1-3H3,(H,26,28);8-10,14,26H,5-7,11-13H2,1-4H3,(H,25,27);9-11,25,28H,3-8,12-13H2,1-2H3,(H,24,26).
What are the key properties of 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?
7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one has a molecular weight of 2272.69 g/mol, XLogP of 12.46, 36 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(methoxymethyl)-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-bis(methoxymethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;2-[7,7-bis(methoxymethyl)-6-oxo-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-5-yl]-N-cyclopropylacetamide;5-(3-hydroxypropyl)-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-bis(methoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one is sourced from PubChem (CID 157106637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).