7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten

C92H168N19O21W- — CID 159174586

IUPAC7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten
SMILESCCC(=O)CN(CC(=O)CC)CC(=O)NC.CNC(=O)CCCCC(=O)CN(CC(=O)NCCCC(=O)NC)CC(=O)NCCCC(=O)NC.CNC(=O)CCCCCCC(=O)CN(CC(=O)NCCCCCC(=O)NC)CC(=O)NCCCCCC(=O)NC.[CH2-]C(=O)CCCCCCCC(=O)CN(CC(=O)NCCCCCCC(=O)NC)CC(=O)NCCCCCCC(=O)NC.[W]
InChIInChI=1S/C31H56N5O6.C28H52N6O6.C22H40N6O6.C11H20N2O3.W/c1-26(37)17-11-5-4-6-12-18-27(38)23-36(24-30(41)34-21-15-9-7-13-19-28(39)32-2)25-31(42)35-22-16-10-8-14-20-29(40)33-3;1-29-24(36)15-9-5-4-8-14-23(35)20-34(21-27(39)32-18-12-6-10-16-25(37)30-2)22-28(40)33-19-13-7-11-17-26(38)31-3;1-23-18(30)9-5-4-8-17(29)14-28(15-21(33)26-12-6-10-19(31)24-2)16-22(34)27-13-7-11-20(32)25-3;1-4-9(14)6-13(7-10(15)5-2)8-11(16)12-3;/h1,4-25H2,2-3H3,(H,32,39)(H,33,40)(H,34,41)(H,35,42);4-22H2,1-3H3,(H,29,36)(H,30,37)(H,31,38)(H,32,39)(H,33,40);4-16H2,1-3H3,(H,23,30)(H,24,31)(H,25,32)(H,26,33)(H,27,34);4-8H2,1-3H3,(H,12,16);/q-1;;;;
InChIKeyIKBDFDNKGHKKNB-UHFFFAOYSA-N
MW2060.31 g/mol
LogP1.84
Rot. Bonds80

About 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten

7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten (PubChem CID 159174586) has the molecular formula C92H168N19O21W- and a molecular weight of 2060.31 g/mol. Its IUPAC name is 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten.

Molecular Properties

Compound Name7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten
PubChem CID159174586
Molecular FormulaC92H168N19O21W-
Molecular Weight2060.31 g/mol
Exact Mass2059.22
IUPAC Name7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten
SMILESCCC(=O)CN(CC(=O)CC)CC(=O)NC.CNC(=O)CCCCC(=O)CN(CC(=O)NCCCC(=O)NC)CC(=O)NCCCC(=O)NC.CNC(=O)CCCCCCC(=O)CN(CC(=O)NCCCCCC(=O)NC)CC(=O)NCCCCCC(=O)NC.[CH2-]C(=O)CCCCCCCC(=O)CN(CC(=O)NCCCCCCC(=O)NC)CC(=O)NCCCCCCC(=O)NC.[W]
InChIInChI=1S/C31H56N5O6.C28H52N6O6.C22H40N6O6.C11H20N2O3.W/c1-26(37)17-11-5-4-6-12-18-27(38)23-36(24-30(41)34-21-15-9-7-13-19-28(39)32-2)25-31(42)35-22-16-10-8-14-20-29(40)33-3;1-29-24(36)15-9-5-4-8-14-23(35)20-34(21-27(39)32-18-12-6-10-16-25(37)30-2)22-28(40)33-19-13-7-11-17-26(38)31-3;1-23-18(30)9-5-4-8-17(29)14-28(15-21(33)26-12-6-10-19(31)24-2)16-22(34)27-13-7-11-20(32)25-3;1-4-9(14)6-13(7-10(15)5-2)8-11(16)12-3;/h1,4-25H2,2-3H3,(H,32,39)(H,33,40)(H,34,41)(H,35,42);4-22H2,1-3H3,(H,29,36)(H,30,37)(H,31,38)(H,32,39)(H,33,40);4-16H2,1-3H3,(H,23,30)(H,24,31)(H,25,32)(H,26,33)(H,27,34);4-8H2,1-3H3,(H,12,16);/q-1;;;;
InChIKeyIKBDFDNKGHKKNB-UHFFFAOYSA-N
XLogP1.84
TPSA551.88 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds80
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002060.31
LogP ≤ 51.84
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten with MolForge

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Related Compounds

N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide
CID 160754701
N-(2,9-dioxoundecyl)-N'-methyl-N-[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]-4-oxononanediamide;N-[2-(methylamino)-2-oxoethyl]-N-(2-oxobutyl)butanamide;N'-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-N-(2-oxobutyl)nonanediamide
CID 161119382
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
2-[2-[carboxymethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-[carboxymethyl(2-oxopentadecyl)amino]ethyl]amino]acetic acid
CID 58283801
N-(4-oxohexyl)octadecanamide
CID 90448629
N-(4-oxohexyl)pentadecanamide
CID 170421941
CID 174074733
CID 174074733
2-[2-[carboxylatomethyl-[2-(octadecylamino)-2-oxoethyl]amino]ethyl-[2-[carboxylatomethyl(2-oxohenicosyl)amino]ethyl]amino]acetate;gadolinium(3+)
CID 161254591
1-methyl-3-(7-oxononyl)urea
CID 158424786
2-[ethyl(4-oxohexyl)amino]-N-methylacetamide
CID 106801333
ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide
CID 162725840
16-[[4-(methylamino)-4-oxobutyl]amino]-16-oxohexadecane-1-sulfonic acid
CID 138712454

Frequently Asked Questions

What is the IUPAC name of 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten?
The IUPAC name of 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten (CID 159174586) is 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten.
What is the SMILES notation for 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten?
The canonical SMILES for 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten is CCC(=O)CN(CC(=O)CC)CC(=O)NC.CNC(=O)CCCCC(=O)CN(CC(=O)NCCCC(=O)NC)CC(=O)NCCCC(=O)NC.CNC(=O)CCCCCCC(=O)CN(CC(=O)NCCCCCC(=O)NC)CC(=O)NCCCCCC(=O)NC.[CH2-]C(=O)CCCCCCCC(=O)CN(CC(=O)NCCCCCCC(=O)NC)CC(=O)NCCCCCCC(=O)NC.[W].
What is the InChIKey of 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten?
The InChIKey is IKBDFDNKGHKKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56N5O6.C28H52N6O6.C22H40N6O6.C11H20N2O3.W/c1-26(37)17-11-5-4-6-12-18-27(38)23-36(24-30(41)34-21-15-9-7-13-19-28(39)32-2)25-31(42)35-22-16-10-8-14-20-29(40)33-3;1-29-24(36)15-9-5-4-8-14-23(35)20-34(21-27(39)32-18-12-6-10-16-25(37)30-2)22-28(40)33-19-13-7-11-17-26(38)31-3;1-23-18(30)9-5-4-8-17(29)14-28(15-21(33)26-12-6-10-19(31)24-2)16-22(34)27-13-7-11-20(32)25-3;1-4-9(14)6-13(7-10(15)5-2)8-11(16)12-3;/h1,4-25H2,2-3H3,(H,32,39)(H,33,40)(H,34,41)(H,35,42);4-22H2,1-3H3,(H,29,36)(H,30,37)(H,31,38)(H,32,39)(H,33,40);4-16H2,1-3H3,(H,23,30)(H,24,31)(H,25,32)(H,26,33)(H,27,34);4-8H2,1-3H3,(H,12,16);/q-1;;;;.
What are the key properties of 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten?
7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten has a molecular weight of 2060.31 g/mol, XLogP of 1.84, 80 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten is sourced from PubChem (CID 159174586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).