[3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten

C72H106N9O15W- — CID 161047342

IUPAC[3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten
SMILESC.CCC(=O)CCCCCNC(=O)c1cc(C(=O)NCCCCCC(=O)CC)cc(C(=O)NCCCCCC(=O)CC)c1.CCC(=O)CCCNC(=O)c1cc(C(=O)NCCCC(=O)CC)cc(C(=O)NCCCC(=O)CC)c1.CNC(=O)c1cc(C([NH-])=O)cc(C(=O)NC)c1.[W]
InChIInChI=1S/C33H51N3O6.C27H39N3O6.C11H13N3O3.CH4.W/c1-4-28(37)16-10-7-13-19-34-31(40)25-22-26(32(41)35-20-14-8-11-17-29(38)5-2)24-27(23-25)33(42)36-21-15-9-12-18-30(39)6-3;1-4-22(31)10-7-13-28-25(34)19-16-20(26(35)29-14-8-11-23(32)5-2)18-21(17-19)27(36)30-15-9-12-24(33)6-3;1-13-10(16)7-3-6(9(12)15)4-8(5-7)11(17)14-2;;/h22-24H,4-21H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);16-18H,4-15H2,1-3H3,(H,28,34)(H,29,35)(H,30,36);3-5H,1-2H3,(H4,12,13,14,15,16,17);1H4;/p-1
InChIKeyGIPQXJYRZAVHBS-UHFFFAOYSA-M
MW1521.53 g/mol
LogP9.88
Rot. Bonds45

About [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten

[3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten (PubChem CID 161047342) has the molecular formula C72H106N9O15W- and a molecular weight of 1521.53 g/mol. Its IUPAC name is [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten.

Molecular Properties

Compound Name[3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten
PubChem CID161047342
Molecular FormulaC72H106N9O15W-
Molecular Weight1521.53 g/mol
Exact Mass1520.73
IUPAC Name[3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten
SMILESC.CCC(=O)CCCCCNC(=O)c1cc(C(=O)NCCCCCC(=O)CC)cc(C(=O)NCCCCCC(=O)CC)c1.CCC(=O)CCCNC(=O)c1cc(C(=O)NCCCC(=O)CC)cc(C(=O)NCCCC(=O)CC)c1.CNC(=O)c1cc(C([NH-])=O)cc(C(=O)NC)c1.[W]
InChIInChI=1S/C33H51N3O6.C27H39N3O6.C11H13N3O3.CH4.W/c1-4-28(37)16-10-7-13-19-34-31(40)25-22-26(32(41)35-20-14-8-11-17-29(38)5-2)24-27(23-25)33(42)36-21-15-9-12-18-30(39)6-3;1-4-22(31)10-7-13-28-25(34)19-16-20(26(35)29-14-8-11-23(32)5-2)18-21(17-19)27(36)30-15-9-12-24(33)6-3;1-13-10(16)7-3-6(9(12)15)4-8(5-7)11(17)14-2;;/h22-24H,4-21H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);16-18H,4-15H2,1-3H3,(H,28,34)(H,29,35)(H,30,36);3-5H,1-2H3,(H4,12,13,14,15,16,17);1H4;/p-1
InChIKeyGIPQXJYRZAVHBS-UHFFFAOYSA-M
XLogP9.88
TPSA376.09 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds45
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001521.53
LogP ≤ 59.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten with MolForge

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Related Compounds

1-N,3-N-bis(4-oxohexyl)-5-N-(6-oxooctyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide
CID 159575625
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
4-N-[13-(methylamino)-6-oxotridecyl]-1-N-(6-oxoheptyl)benzene-1,4-dicarboxamide
CID 153153765
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
N-(10-oxododecyl)acetamide
CID 164677162
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
N-(4-oxohexyl)pentadecanamide
CID 170421941
3,5-diamino-N-hexadecylbenzamide
CID 54469516
4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
CID 10039928
N-decyl-3-sulfanylbenzamide
CID 107032454
N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
CID 103896382

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten?
The IUPAC name of [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten (CID 161047342) is [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten.
What is the SMILES notation for [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten?
The canonical SMILES for [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten is C.CCC(=O)CCCCCNC(=O)c1cc(C(=O)NCCCCCC(=O)CC)cc(C(=O)NCCCCCC(=O)CC)c1.CCC(=O)CCCNC(=O)c1cc(C(=O)NCCCC(=O)CC)cc(C(=O)NCCCC(=O)CC)c1.CNC(=O)c1cc(C([NH-])=O)cc(C(=O)NC)c1.[W].
What is the InChIKey of [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten?
The InChIKey is GIPQXJYRZAVHBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H51N3O6.C27H39N3O6.C11H13N3O3.CH4.W/c1-4-28(37)16-10-7-13-19-34-31(40)25-22-26(32(41)35-20-14-8-11-17-29(38)5-2)24-27(23-25)33(42)36-21-15-9-12-18-30(39)6-3;1-4-22(31)10-7-13-28-25(34)19-16-20(26(35)29-14-8-11-23(32)5-2)18-21(17-19)27(36)30-15-9-12-24(33)6-3;1-13-10(16)7-3-6(9(12)15)4-8(5-7)11(17)14-2;;/h22-24H,4-21H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);16-18H,4-15H2,1-3H3,(H,28,34)(H,29,35)(H,30,36);3-5H,1-2H3,(H4,12,13,14,15,16,17);1H4;/p-1.
What are the key properties of [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten?
[3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten has a molecular weight of 1521.53 g/mol, XLogP of 9.88, 45 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(methylcarbamoyl)benzoyl]azanide;methane;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(6-oxooctyl)benzene-1,3,5-tricarboxamide;tungsten is sourced from PubChem (CID 161047342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).