butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide

C120H240N24O18 — CID 161041623

IUPACbutane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide
SMILESCCCC.CCCC.CCCC.CCCC.CCCC.CCCC.C[13C](=O)CC[15NH][13C](=O)CCN[13C](=O)[13CH]1[13CH2][13CH2][13CH2]N1CCN(C)C.C[13C](=O)[13CH2]C[15NH][13C](=O)[13CH2]C[15NH]C(=O)C1CCCN1C[13CH2]N([13CH3])[13CH3].C[13C](=O)[13CH2][13CH2]N[13C](=O)[13CH2]CNC(=O)C1CCC[15N]1CC[15N]([13CH3])[13CH3].C[13C](=O)[13CH2][13CH2][15NH][13C](=O)CCNC(=O)C1CCCN1C[13CH2][15N]([13CH3])[13CH3].C[13C](=O)[13CH2][13CH2][15NH][13C](=O)[13CH2]CNC(=O)C1CCC[15N]1[13CH2][13CH2]N(C)C.C[13C](=O)[13CH2][13CH2][15NH][13C](=O)[13CH2]CN[13C](=O)[13CH]1CCC[15N]1CC[15N](C)C
InChIInChI=1S/6C16H30N4O3.6C4H10/c6*1-13(21)6-8-17-15(22)7-9-18-16(23)14-5-4-10-20(14)12-11-19(2)3;6*1-3-4-2/h6*14H,4-12H2,1-3H3,(H,17,22)(H,18,23);6*3-4H2,1-2H3/i6+1,7+1,8+1,13+1,14+1,15+1,16+1,17+1,19+1,20+1;6+1,7+1,8+1,11+1,12+1,13+1,15+1,17+1,20+1;2+1,3+1,6+1,8+1,11+1,13+1,15+1,17+1,19+1;2+1,3+1,6+1,7+1,11+1,13+1,15+1,17+1,18+1;2+1,3+1,6+1,7+1,8+1,13+1,15+1,19+1,20+1;4+1,5+1,10+1,13+1,14+1,15+1,16+1,17+1;;;;;;
InChIKeyUAYMXNRHEXSWGC-QHPFYLBUSA-N
MW2360.99 g/mol
LogP8.52
Rot. Bonds66

About butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide

butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide (PubChem CID 161041623) has the molecular formula C120H240N24O18 and a molecular weight of 2360.99 g/mol. Its IUPAC name is butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Namebutane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide
PubChem CID161041623
Molecular FormulaC120H240N24O18
Molecular Weight2360.99 g/mol
Exact Mass2359.97
IUPAC Namebutane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide
SMILESCCCC.CCCC.CCCC.CCCC.CCCC.CCCC.C[13C](=O)CC[15NH][13C](=O)CCN[13C](=O)[13CH]1[13CH2][13CH2][13CH2]N1CCN(C)C.C[13C](=O)[13CH2]C[15NH][13C](=O)[13CH2]C[15NH]C(=O)C1CCCN1C[13CH2]N([13CH3])[13CH3].C[13C](=O)[13CH2][13CH2]N[13C](=O)[13CH2]CNC(=O)C1CCC[15N]1CC[15N]([13CH3])[13CH3].C[13C](=O)[13CH2][13CH2][15NH][13C](=O)CCNC(=O)C1CCCN1C[13CH2][15N]([13CH3])[13CH3].C[13C](=O)[13CH2][13CH2][15NH][13C](=O)[13CH2]CNC(=O)C1CCC[15N]1[13CH2][13CH2]N(C)C.C[13C](=O)[13CH2][13CH2][15NH][13C](=O)[13CH2]CN[13C](=O)[13CH]1CCC[15N]1CC[15N](C)C
InChIInChI=1S/6C16H30N4O3.6C4H10/c6*1-13(21)6-8-17-15(22)7-9-18-16(23)14-5-4-10-20(14)12-11-19(2)3;6*1-3-4-2/h6*14H,4-12H2,1-3H3,(H,17,22)(H,18,23);6*3-4H2,1-2H3/i6+1,7+1,8+1,13+1,14+1,15+1,16+1,17+1,19+1,20+1;6+1,7+1,8+1,11+1,12+1,13+1,15+1,17+1,20+1;2+1,3+1,6+1,8+1,11+1,13+1,15+1,17+1,19+1;2+1,3+1,6+1,7+1,11+1,13+1,15+1,17+1,18+1;2+1,3+1,6+1,7+1,8+1,13+1,15+1,19+1,20+1;4+1,5+1,10+1,13+1,14+1,15+1,16+1,17+1;;;;;;
InChIKeyUAYMXNRHEXSWGC-QHPFYLBUSA-N
XLogP8.52
TPSA490.50 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds66
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002360.99
LogP ≤ 58.52
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide
CID 129148319
2-[2-[3-(dimethylamino)propylcarbamoyl]piperidin-1-yl]ethyl octadecanoate
CID 70104121
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
CID 143685494
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
1-(cyanomethyl)-N-propylpiperidine-2-carboxamide
CID 10998275
3-[3-[[2-[2-(dimethylamino(113C)methyl)(2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino]propanoylamino](113C)propanoic acid
CID 129148345
3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide
CID 166035351
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate
CID 129148317
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-[2,2-di((113C)methyl)(1,2,3-13C3)propyl](115N)azolidine-2-carbonyl]amino](113C)propanoyl(15N)amino](113C)propanoate
CID 129148300
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
CID 59765360
CID 59765360

Frequently Asked Questions

What is the IUPAC name of butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide (CID 161041623) is butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide is CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.C[13C](=O)CC[15NH][13C](=O)CCN[13C](=O)[13CH]1[13CH2][13CH2][13CH2]N1CCN(C)C.C[13C](=O)[13CH2]C[15NH][13C](=O)[13CH2]C[15NH]C(=O)C1CCCN1C[13CH2]N([13CH3])[13CH3].C[13C](=O)[13CH2][13CH2]N[13C](=O)[13CH2]CNC(=O)C1CCC[15N]1CC[15N]([13CH3])[13CH3].C[13C](=O)[13CH2][13CH2][15NH][13C](=O)CCNC(=O)C1CCCN1C[13CH2][15N]([13CH3])[13CH3].C[13C](=O)[13CH2][13CH2][15NH][13C](=O)[13CH2]CNC(=O)C1CCC[15N]1[13CH2][13CH2]N(C)C.C[13C](=O)[13CH2][13CH2][15NH][13C](=O)[13CH2]CN[13C](=O)[13CH]1CCC[15N]1CC[15N](C)C.
What is the InChIKey of butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide?
The InChIKey is UAYMXNRHEXSWGC-QHPFYLBUSA-N. The full InChI is InChI=1S/6C16H30N4O3.6C4H10/c6*1-13(21)6-8-17-15(22)7-9-18-16(23)14-5-4-10-20(14)12-11-19(2)3;6*1-3-4-2/h6*14H,4-12H2,1-3H3,(H,17,22)(H,18,23);6*3-4H2,1-2H3/i6+1,7+1,8+1,13+1,14+1,15+1,16+1,17+1,19+1,20+1;6+1,7+1,8+1,11+1,12+1,13+1,15+1,17+1,20+1;2+1,3+1,6+1,8+1,11+1,13+1,15+1,17+1,19+1;2+1,3+1,6+1,7+1,11+1,13+1,15+1,17+1,18+1;2+1,3+1,6+1,7+1,8+1,13+1,15+1,19+1,20+1;4+1,5+1,10+1,13+1,14+1,15+1,16+1,17+1;;;;;;.
What are the key properties of butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide?
butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide has a molecular weight of 2360.99 g/mol, XLogP of 8.52, 66 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 161041623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).