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

C58H101N9O15 — CID 161119382

IUPACN-(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
SMILESCCC(=O)CCCCCCC(=O)CN(CC(=O)NCCCCCC(=O)NC)C(=O)CCC(=O)CCCCC(=O)NC.CCC(=O)CN(CC(=O)NC)C(=O)CCC(=O)CCCCC(=O)NC.CCCC(=O)N(CC(=O)CC)CC(=O)NC
InChIInChI=1S/C30H52N4O7.C17H29N3O5.C11H20N2O3/c1-4-24(35)14-8-5-6-9-16-26(37)22-34(23-29(40)33-21-13-7-10-17-27(38)31-2)30(41)20-19-25(36)15-11-12-18-28(39)32-3;1-4-13(21)11-20(12-16(24)19-3)17(25)10-9-14(22)7-5-6-8-15(23)18-2;1-4-6-11(16)13(7-9(14)5-2)8-10(15)12-3/h4-23H2,1-3H3,(H,31,38)(H,32,39)(H,33,40);4-12H2,1-3H3,(H,18,23)(H,19,24);4-8H2,1-3H3,(H,12,15)
InChIKeyUKTCSKZJHSDMFO-UHFFFAOYSA-N
MW1164.49 g/mol
LogP3.32
Rot. Bonds46

About 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

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 (PubChem CID 161119382) has the molecular formula C58H101N9O15 and a molecular weight of 1164.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID161119382
Molecular FormulaC58H101N9O15
Molecular Weight1164.49 g/mol
Exact Mass1163.74
IUPAC NameN-(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
SMILESCCC(=O)CCCCCCC(=O)CN(CC(=O)NCCCCCC(=O)NC)C(=O)CCC(=O)CCCCC(=O)NC.CCC(=O)CN(CC(=O)NC)C(=O)CCC(=O)CCCCC(=O)NC.CCCC(=O)N(CC(=O)CC)CC(=O)NC
InChIInChI=1S/C30H52N4O7.C17H29N3O5.C11H20N2O3/c1-4-24(35)14-8-5-6-9-16-26(37)22-34(23-29(40)33-21-13-7-10-17-27(38)31-2)30(41)20-19-25(36)15-11-12-18-28(39)32-3;1-4-13(21)11-20(12-16(24)19-3)17(25)10-9-14(22)7-5-6-8-15(23)18-2;1-4-6-11(16)13(7-9(14)5-2)8-10(15)12-3/h4-23H2,1-3H3,(H,31,38)(H,32,39)(H,33,40);4-12H2,1-3H3,(H,18,23)(H,19,24);4-8H2,1-3H3,(H,12,15)
InChIKeyUKTCSKZJHSDMFO-UHFFFAOYSA-N
XLogP3.32
TPSA337.95 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds46
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001164.49
LogP ≤ 53.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 168891729
CID 168891729
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
[2-[[(2R)-5-amino-1-[[6-[[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxooctylamino)ethyl]amino]-6-oxohexyl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl] formate
CID 160915280
N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide
CID 160754701
N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide
CID 159869240
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide
CID 143730813
N-(4-oxohexyl)octadecanamide
CID 90448629
N-(4-oxohexyl)pentadecanamide
CID 170421941
N-(8-oxotridecyl)hexanamide
CID 148531467
8-oxo-N-propyldecanamide
CID 156819961
N-hexadecyl-4-oxohexanamide
CID 59141452

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(=O)CCCCCCC(=O)CN(CC(=O)NCCCCCC(=O)NC)C(=O)CCC(=O)CCCCC(=O)NC.CCC(=O)CN(CC(=O)NC)C(=O)CCC(=O)CCCCC(=O)NC.CCCC(=O)N(CC(=O)CC)CC(=O)NC.
What is the InChIKey of 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?
The InChIKey is UKTCSKZJHSDMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N4O7.C17H29N3O5.C11H20N2O3/c1-4-24(35)14-8-5-6-9-16-26(37)22-34(23-29(40)33-21-13-7-10-17-27(38)31-2)30(41)20-19-25(36)15-11-12-18-28(39)32-3;1-4-13(21)11-20(12-16(24)19-3)17(25)10-9-14(22)7-5-6-8-15(23)18-2;1-4-6-11(16)13(7-9(14)5-2)8-10(15)12-3/h4-23H2,1-3H3,(H,31,38)(H,32,39)(H,33,40);4-12H2,1-3H3,(H,18,23)(H,19,24);4-8H2,1-3H3,(H,12,15).
What are the key properties of 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?
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 has a molecular weight of 1164.49 g/mol, XLogP of 3.32, 46 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161119382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).