N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide

C63H33N5O9 — CID 165366365

IUPACN-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide
SMILESO=C(Nc1cccc2c(=O)c3c(ccc4c5ccc6c(=O)c7c(NC(=O)c8ccccc8)cc8c9ccc%10c(=O)c%11c(NC(=O)c%12ccccc%12)cccc%11c(=O)c%10c9[nH]c8c7c(=O)c6c5[nH]c43)c(=O)c12)c1ccccc1
InChIInChI=1S/C63H33N5O9/c69-55-37-25-22-32-33-23-26-39-48(52(33)67-51(32)46(37)57(71)35-18-10-20-41(44(35)55)64-61(75)29-12-4-1-5-13-29)60(74)50-49(59(39)73)43(66-63(77)31-16-8-3-9-17-31)28-40-34-24-27-38-47(53(34)68-54(40)50)58(72)36-19-11-21-42(45(36)56(38)70)65-62(76)30-14-6-2-7-15-30/h1-28,67-68H,(H,64,75)(H,65,76)(H,66,77)
InChIKeyBRYRNXMIUXOZMM-UHFFFAOYSA-N
MW1003.98 g/mol
LogP10.11
Rot. Bonds6

About N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide

N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide (PubChem CID 165366365) has the molecular formula C63H33N5O9 and a molecular weight of 1003.98 g/mol. Its IUPAC name is N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide.

Molecular Properties

Compound NameN-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide
PubChem CID165366365
Molecular FormulaC63H33N5O9
Molecular Weight1003.98 g/mol
Exact Mass1003.23
IUPAC NameN-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide
SMILESO=C(Nc1cccc2c(=O)c3c(ccc4c5ccc6c(=O)c7c(NC(=O)c8ccccc8)cc8c9ccc%10c(=O)c%11c(NC(=O)c%12ccccc%12)cccc%11c(=O)c%10c9[nH]c8c7c(=O)c6c5[nH]c43)c(=O)c12)c1ccccc1
InChIInChI=1S/C63H33N5O9/c69-55-37-25-22-32-33-23-26-39-48(52(33)67-51(32)46(37)57(71)35-18-10-20-41(44(35)55)64-61(75)29-12-4-1-5-13-29)60(74)50-49(59(39)73)43(66-63(77)31-16-8-3-9-17-31)28-40-34-24-27-38-47(53(34)68-54(40)50)58(72)36-19-11-21-42(45(36)56(38)70)65-62(76)30-14-6-2-7-15-30/h1-28,67-68H,(H,64,75)(H,65,76)(H,66,77)
InChIKeyBRYRNXMIUXOZMM-UHFFFAOYSA-N
XLogP10.11
TPSA221.30 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.98
LogP ≤ 510.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide with MolForge

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Related Compounds

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bis(2-benzamidobenzoic acid);piperazine
CID 3045073

Frequently Asked Questions

What is the IUPAC name of N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide?
The IUPAC name of N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide (CID 165366365) is N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide.
What is the SMILES notation for N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide?
The canonical SMILES for N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide is O=C(Nc1cccc2c(=O)c3c(ccc4c5ccc6c(=O)c7c(NC(=O)c8ccccc8)cc8c9ccc%10c(=O)c%11c(NC(=O)c%12ccccc%12)cccc%11c(=O)c%10c9[nH]c8c7c(=O)c6c5[nH]c43)c(=O)c12)c1ccccc1.
What is the InChIKey of N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide?
The InChIKey is BRYRNXMIUXOZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H33N5O9/c69-55-37-25-22-32-33-23-26-39-48(52(33)67-51(32)46(37)57(71)35-18-10-20-41(44(35)55)64-61(75)29-12-4-1-5-13-29)60(74)50-49(59(39)73)43(66-63(77)31-16-8-3-9-17-31)28-40-34-24-27-38-47(53(34)68-54(40)50)58(72)36-19-11-21-42(45(36)56(38)70)65-62(76)30-14-6-2-7-15-30/h1-28,67-68H,(H,64,75)(H,65,76)(H,66,77).
What are the key properties of N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide?
N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide has a molecular weight of 1003.98 g/mol, XLogP of 10.11, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide is sourced from PubChem (CID 165366365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).