butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C44H78F4N6O8 — CID 143361070

IUPACbutane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESC=C(/C=C\C=C/C)C(NC(=O)CNC)C(=O)N(C)C.CC.CC(C(=O)C=O)N(F)C(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C.CC(C)C.CCCC
InChIInChI=1S/C20H29F4N3O6.C14H23N3O2.2C4H10.C2H6/c1-11(13(29)10-28)27(24)15(30)12-8-7-9-26(12)16(31)14(18(2,3)4)25-17(32)33-19(5,6)20(21,22)23;1-6-7-8-9-11(2)13(14(19)17(4)5)16-12(18)10-15-3;1-4(2)3;1-3-4-2;1-2/h10-12,14H,7-9H2,1-6H3,(H,25,32);6-9,13,15H,2,10H2,1,3-5H3,(H,16,18);4H,1-3H3;3-4H2,1-2H3;1-2H3/b;7-6-,9-8-;;;
InChIKeyQXTVMCNNPIHLAE-UEPGWLKCSA-N
MW895.13 g/mol
LogP7.29
Rot. Bonds15

About butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 143361070) has the molecular formula C44H78F4N6O8 and a molecular weight of 895.13 g/mol. Its IUPAC name is butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebutane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID143361070
Molecular FormulaC44H78F4N6O8
Molecular Weight895.13 g/mol
Exact Mass894.58
IUPAC Namebutane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESC=C(/C=C\C=C/C)C(NC(=O)CNC)C(=O)N(C)C.CC.CC(C(=O)C=O)N(F)C(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C.CC(C)C.CCCC
InChIInChI=1S/C20H29F4N3O6.C14H23N3O2.2C4H10.C2H6/c1-11(13(29)10-28)27(24)15(30)12-8-7-9-26(12)16(31)14(18(2,3)4)25-17(32)33-19(5,6)20(21,22)23;1-6-7-8-9-11(2)13(14(19)17(4)5)16-12(18)10-15-3;1-4(2)3;1-3-4-2;1-2/h10-12,14H,7-9H2,1-6H3,(H,25,32);6-9,13,15H,2,10H2,1,3-5H3,(H,16,18);4H,1-3H3;3-4H2,1-2H3;1-2H3/b;7-6-,9-8-;;;
InChIKeyQXTVMCNNPIHLAE-UEPGWLKCSA-N
XLogP7.29
TPSA174.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.13
LogP ≤ 57.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

(1,1,1-trifluoro-2-methylpropan-2-yl) N-[3,3-dimethyl-1-[2-[(7-methyl-2,3-dioxodecan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 143358313
tert-butyl N-[1-(2-acetylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;propane
CID 142573065
(1,1-difluoro-2-methyl-1-phosphanylpropan-2-yl) N-[1-[2-[[1-[[2-[[1-cyclohexa-2,4-dien-1-yl-3-(methylamino)-2-oxopropyl]amino]-2-oxoethyl]amino]-6-methyl-2,3-dioxoheptan-4-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 143362447
N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide
CID 143330081
[1-(trifluoromethyl)cyclobutyl] N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 70290394
ethyl 1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 143105469
butane;1-[3,3-dimethyl-2-(methylcarbamoylamino)butanoyl]-N-(1,2-dioxohept-6-yn-3-yl)pyrrolidine-2-carboxamide;N-methylprop-2-en-1-amine
CID 143357328
1-[3,3-dimethyl-2-(methylcarbamoylamino)butanoyl]-N-(1,2-dioxohept-6-en-3-yl)pyrrolidine-2-carboxamide
CID 143353105
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-(2-methylpropyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 162598979
N-[1-[2-[[formyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)acetamide
CID 143577788
hexan-2-yl N-[1-(2-carbamoylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 143786485
tert-butyl N-[(2S)-1-[(2S)-2-[(4-amino-1-cyclohexyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane
CID 158001079

Frequently Asked Questions

What is the IUPAC name of butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 143361070) is butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is C=C(/C=C\C=C/C)C(NC(=O)CNC)C(=O)N(C)C.CC.CC(C(=O)C=O)N(F)C(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C.CC(C)C.CCCC.
What is the InChIKey of butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is QXTVMCNNPIHLAE-UEPGWLKCSA-N. The full InChI is InChI=1S/C20H29F4N3O6.C14H23N3O2.2C4H10.C2H6/c1-11(13(29)10-28)27(24)15(30)12-8-7-9-26(12)16(31)14(18(2,3)4)25-17(32)33-19(5,6)20(21,22)23;1-6-7-8-9-11(2)13(14(19)17(4)5)16-12(18)10-15-3;1-4(2)3;1-3-4-2;1-2/h10-12,14H,7-9H2,1-6H3,(H,25,32);6-9,13,15H,2,10H2,1,3-5H3,(H,16,18);4H,1-3H3;3-4H2,1-2H3;1-2H3/b;7-6-,9-8-;;;.
What are the key properties of butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 895.13 g/mol, XLogP of 7.29, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(4Z,6Z)-N,N-dimethyl-2-[[2-(methylamino)acetyl]amino]-3-methylideneocta-4,6-dienamide;ethane;2-methylpropane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[2-[3,4-dioxobutan-2-yl(fluoro)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 143361070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).