3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide

C85H141F7N12O12 — CID 158615712

IUPAC3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide
SMILESC#CCCC(NC(C)(C)C)C(=O)C(=O)NCC=C.CC(C)(C)NC(CC1CC1)C(=O)C(=O)NC1CC1.CC(C)(C)NC(CCC(F)(F)F)C(=O)C(=O)NC1CC1.CC(C)(C)NC(CCC(F)F)C(=O)C(=O)NC1CC1.CNC(=O)C(=O)C(CC1CC1)NC(C)(C)C.COCc1ccc(CCNC(=O)C(CCC(F)F)NC(C)(C)C)cc1
InChIInChI=1S/C19H30F2N2O2.C14H24N2O2.C14H22N2O2.C13H21F3N2O2.C13H22F2N2O2.C12H22N2O2/c1-19(2,3)23-16(9-10-17(20)21)18(24)22-12-11-14-5-7-15(8-6-14)13-25-4;1-14(2,3)16-11(8-9-4-5-9)12(17)13(18)15-10-6-7-10;1-6-8-9-11(16-14(3,4)5)12(17)13(18)15-10-7-2;1-12(2,3)18-9(6-7-13(14,15)16)10(19)11(20)17-8-4-5-8;1-13(2,3)17-9(6-7-10(14)15)11(18)12(19)16-8-4-5-8;1-12(2,3)14-9(7-8-5-6-8)10(15)11(16)13-4/h5-8,16-17,23H,9-13H2,1-4H3,(H,22,24);9-11,16H,4-8H2,1-3H3,(H,15,18);1,7,11,16H,2,8-10H2,3-5H3,(H,15,18);8-9,18H,4-7H2,1-3H3,(H,17,20);8-10,17H,4-7H2,1-3H3,(H,16,19);8-9,14H,5-7H2,1-4H3,(H,13,16)
InChIKeyHXJAXAMFIHLUQR-UHFFFAOYSA-N
MW1656.12 g/mol
LogP10.14
Rot. Bonds41

About 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide

3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide (PubChem CID 158615712) has the molecular formula C85H141F7N12O12 and a molecular weight of 1656.12 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide
PubChem CID158615712
Molecular FormulaC85H141F7N12O12
Molecular Weight1656.12 g/mol
Exact Mass1655.07
IUPAC Name3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide
SMILESC#CCCC(NC(C)(C)C)C(=O)C(=O)NCC=C.CC(C)(C)NC(CC1CC1)C(=O)C(=O)NC1CC1.CC(C)(C)NC(CCC(F)(F)F)C(=O)C(=O)NC1CC1.CC(C)(C)NC(CCC(F)F)C(=O)C(=O)NC1CC1.CNC(=O)C(=O)C(CC1CC1)NC(C)(C)C.COCc1ccc(CCNC(=O)C(CCC(F)F)NC(C)(C)C)cc1
InChIInChI=1S/C19H30F2N2O2.C14H24N2O2.C14H22N2O2.C13H21F3N2O2.C13H22F2N2O2.C12H22N2O2/c1-19(2,3)23-16(9-10-17(20)21)18(24)22-12-11-14-5-7-15(8-6-14)13-25-4;1-14(2,3)16-11(8-9-4-5-9)12(17)13(18)15-10-6-7-10;1-6-8-9-11(16-14(3,4)5)12(17)13(18)15-10-7-2;1-12(2,3)18-9(6-7-13(14,15)16)10(19)11(20)17-8-4-5-8;1-13(2,3)17-9(6-7-10(14)15)11(18)12(19)16-8-4-5-8;1-12(2,3)14-9(7-8-5-6-8)10(15)11(16)13-4/h5-8,16-17,23H,9-13H2,1-4H3,(H,22,24);9-11,16H,4-8H2,1-3H3,(H,15,18);1,7,11,16H,2,8-10H2,3-5H3,(H,15,18);8-9,18H,4-7H2,1-3H3,(H,17,20);8-10,17H,4-7H2,1-3H3,(H,16,19);8-9,14H,5-7H2,1-4H3,(H,13,16)
InChIKeyHXJAXAMFIHLUQR-UHFFFAOYSA-N
XLogP10.14
TPSA341.36 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001656.12
LogP ≤ 510.14
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide with MolForge

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Related Compounds

(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 161234197
(1S,2S,6S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1,2-dioxo-1-(propylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1-(cyclopropylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1-(cyclopropylmethylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 160738138
(1R,2S,5S)-N-[1-cyclobutyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-2-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-(3-oxo-1H-isoindol-2-yl)butan-2-yl]carbamoylamino]acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-[[(2S)-1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]acetyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-(3-oxo-1H-isoindol-2-yl)butan-2-yl]carbamoylamino]acetyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-(3-oxo-1H-isoindol-2-yl)butan-2-yl]carbamoylamino]acetyl]-6,6-dimethyl-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-(3-oxo-1H-isoindol-2-yl)butan-2-yl]carbamoylamino]acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(5-oxido-1-oxo-3H-pyrrolo[3,4-c]pyridin-5-ium-2-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 162005307
benzyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;tert-butyl (2S)-2-[[(2S)-1-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;cyclopropylmethyl 1-[[(1S)-2-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylate
CID 157073309
(1R,2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[[1-[2-(4-phenylmethoxyphenyl)ethyl]cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[(1-propylcyclohexyl)carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1-cyclobutyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[(1-propylcyclohexyl)carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[[1-(3,3-dimethylbutyl)cyclohexyl]carbamoylamino]acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-3,3-dimethyl-2-[[1-(methylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 159601125
1-[2-(2,3-dihydro-1H-inden-2-yl)-2-(methylcarbamoylamino)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]pyrrolidine-2-carboxamide;ethane;propane
CID 143360793
3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 86950147
1-[2-(2,3-dihydro-1H-inden-2-yl)-2-(methylcarbamoylamino)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]pyrrolidine-2-carboxamide
CID 143105419
(1S,2S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-ynylamino)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-ynylamino)butan-2-yl]-6,6-dimethyl-3-[(2S)-2-[[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 161248274
3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide
CID 58331760
(1R,2S,5S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-2-[[(2S)-1-[[cyclopropyl(methyl)sulfamoyl]-methylamino]-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[(2S)-1-[[cyclopropyl(methyl)sulfamoyl]-methylamino]-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[(2S)-1-[[cyclopropyl(methyl)sulfamoyl]-methylamino]-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 158872323
(2S)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-3-methylpyrrolidine-2-carboxamide;propane
CID 143363271

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide?
The IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide (CID 158615712) is 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide.
What is the SMILES notation for 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide?
The canonical SMILES for 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide is C#CCCC(NC(C)(C)C)C(=O)C(=O)NCC=C.CC(C)(C)NC(CC1CC1)C(=O)C(=O)NC1CC1.CC(C)(C)NC(CCC(F)(F)F)C(=O)C(=O)NC1CC1.CC(C)(C)NC(CCC(F)F)C(=O)C(=O)NC1CC1.CNC(=O)C(=O)C(CC1CC1)NC(C)(C)C.COCc1ccc(CCNC(=O)C(CCC(F)F)NC(C)(C)C)cc1.
What is the InChIKey of 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide?
The InChIKey is HXJAXAMFIHLUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2N2O2.C14H24N2O2.C14H22N2O2.C13H21F3N2O2.C13H22F2N2O2.C12H22N2O2/c1-19(2,3)23-16(9-10-17(20)21)18(24)22-12-11-14-5-7-15(8-6-14)13-25-4;1-14(2,3)16-11(8-9-4-5-9)12(17)13(18)15-10-6-7-10;1-6-8-9-11(16-14(3,4)5)12(17)13(18)15-10-7-2;1-12(2,3)18-9(6-7-13(14,15)16)10(19)11(20)17-8-4-5-8;1-13(2,3)17-9(6-7-10(14)15)11(18)12(19)16-8-4-5-8;1-12(2,3)14-9(7-8-5-6-8)10(15)11(16)13-4/h5-8,16-17,23H,9-13H2,1-4H3,(H,22,24);9-11,16H,4-8H2,1-3H3,(H,15,18);1,7,11,16H,2,8-10H2,3-5H3,(H,15,18);8-9,18H,4-7H2,1-3H3,(H,17,20);8-10,17H,4-7H2,1-3H3,(H,16,19);8-9,14H,5-7H2,1-4H3,(H,13,16).
What are the key properties of 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide?
3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide has a molecular weight of 1656.12 g/mol, XLogP of 10.14, 41 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide;3-(tert-butylamino)-4-cyclopropyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide;3-(tert-butylamino)-N,4-dicyclopropyl-2-oxobutanamide;2-(tert-butylamino)-5,5-difluoro-N-[2-[4-(methoxymethyl)phenyl]ethyl]pentanamide;3-(tert-butylamino)-2-oxo-N-prop-2-enylhept-6-ynamide is sourced from PubChem (CID 158615712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).