2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one

C141H268F2N16O15 — CID 158153925

IUPAC2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
SMILESC.CC.CC.CC(=O)CN1CCC(OC(C)(C)C)C1.CC(=O)CN1CC[C@H](OC(C)(C)C)C1.CC(=O)[C@H]1C[C@@H]1C.CC(C)(C)OCC1[C@H]2CCC[C@@H]12.CC(F)CN1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(F)N1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(OC(C)(C)C)c1cnn(C)c1.CC[C@H]1C[C@@H]1C.CCn1cc(COC(C)(C)C)cn1.CN1CCCC(OC(C)(C)C)C1.CNC(=O)C1CC1C(C)(C)C.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1
InChIInChI=1S/C13H24FNO.C12H22FNO.2C11H21NO2.C11H20O.2C10H18N2O.C10H21NO.3C9H16N2O.C9H17NO.C6H10O.C6H12.2C2H6.CH4/c1-9(14)5-15-6-10-11(7-15)12(10)8-16-13(2,3)4;1-8(13)14-5-9-10(6-14)11(9)7-15-12(2,3)4;2*1-9(13)7-12-6-5-10(8-12)14-11(2,3)4;1-11(2,3)12-7-10-8-5-4-6-9(8)10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;1-10(2,3)12-9-6-5-7-11(4)8-9;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;1-9(2,3)7-5-6(7)8(11)10-4;1-4-3-6(4)5(2)7;1-3-6-4-5(6)2;2*1-2;/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;2*10H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;9H,5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,10,11);4,6H,3H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3;1H4/t9?,10-,11+,12?;8?,9-,10+,11?;10-;;8-,9+,10?;;;;;;;;4-,6-;5-,6-;;;/m..0.........00.../s1
InChIKeyFVLMDLSNSZVWRG-SUXSFAMFSA-N
MW2465.79 g/mol
LogP30.01
Rot. Bonds30

About 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one

2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one (PubChem CID 158153925) has the molecular formula C141H268F2N16O15 and a molecular weight of 2465.79 g/mol. Its IUPAC name is 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
PubChem CID158153925
Molecular FormulaC141H268F2N16O15
Molecular Weight2465.79 g/mol
Exact Mass2464.07
IUPAC Name2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
SMILESC.CC.CC.CC(=O)CN1CCC(OC(C)(C)C)C1.CC(=O)CN1CC[C@H](OC(C)(C)C)C1.CC(=O)[C@H]1C[C@@H]1C.CC(C)(C)OCC1[C@H]2CCC[C@@H]12.CC(F)CN1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(F)N1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(OC(C)(C)C)c1cnn(C)c1.CC[C@H]1C[C@@H]1C.CCn1cc(COC(C)(C)C)cn1.CN1CCCC(OC(C)(C)C)C1.CNC(=O)C1CC1C(C)(C)C.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1
InChIInChI=1S/C13H24FNO.C12H22FNO.2C11H21NO2.C11H20O.2C10H18N2O.C10H21NO.3C9H16N2O.C9H17NO.C6H10O.C6H12.2C2H6.CH4/c1-9(14)5-15-6-10-11(7-15)12(10)8-16-13(2,3)4;1-8(13)14-5-9-10(6-14)11(9)7-15-12(2,3)4;2*1-9(13)7-12-6-5-10(8-12)14-11(2,3)4;1-11(2,3)12-7-10-8-5-4-6-9(8)10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;1-10(2,3)12-9-6-5-7-11(4)8-9;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;1-9(2,3)7-5-6(7)8(11)10-4;1-4-3-6(4)5(2)7;1-3-6-4-5(6)2;2*1-2;/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;2*10H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;9H,5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,10,11);4,6H,3H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3;1H4/t9?,10-,11+,12?;8?,9-,10+,11?;10-;;8-,9+,10?;;;;;;;;4-,6-;5-,6-;;;/m..0.........00.../s1
InChIKeyFVLMDLSNSZVWRG-SUXSFAMFSA-N
XLogP30.01
TPSA308.86 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002465.79
LogP ≤ 530.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one 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

2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;bis(1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one);trans-(1S,2S)-2-methylcyclopropane-1-carboxamide
CID 157236381
1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
CID 158428371
CID 161273650
CID 161273650
1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1R,5S)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine
CID 167660429

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
The IUPAC name of 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one (CID 158153925) is 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one is C.CC.CC.CC(=O)CN1CCC(OC(C)(C)C)C1.CC(=O)CN1CC[C@H](OC(C)(C)C)C1.CC(=O)[C@H]1C[C@@H]1C.CC(C)(C)OCC1[C@H]2CCC[C@@H]12.CC(F)CN1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(F)N1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(OC(C)(C)C)c1cnn(C)c1.CC[C@H]1C[C@@H]1C.CCn1cc(COC(C)(C)C)cn1.CN1CCCC(OC(C)(C)C)C1.CNC(=O)C1CC1C(C)(C)C.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
The InChIKey is FVLMDLSNSZVWRG-SUXSFAMFSA-N. The full InChI is InChI=1S/C13H24FNO.C12H22FNO.2C11H21NO2.C11H20O.2C10H18N2O.C10H21NO.3C9H16N2O.C9H17NO.C6H10O.C6H12.2C2H6.CH4/c1-9(14)5-15-6-10-11(7-15)12(10)8-16-13(2,3)4;1-8(13)14-5-9-10(6-14)11(9)7-15-12(2,3)4;2*1-9(13)7-12-6-5-10(8-12)14-11(2,3)4;1-11(2,3)12-7-10-8-5-4-6-9(8)10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;1-10(2,3)12-9-6-5-7-11(4)8-9;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;1-9(2,3)7-5-6(7)8(11)10-4;1-4-3-6(4)5(2)7;1-3-6-4-5(6)2;2*1-2;/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;2*10H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;9H,5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,10,11);4,6H,3H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3;1H4/t9?,10-,11+,12?;8?,9-,10+,11?;10-;;8-,9+,10?;;;;;;;;4-,6-;5-,6-;;;/m..0.........00.../s1.
What are the key properties of 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one has a molecular weight of 2465.79 g/mol, XLogP of 30.01, 30 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 158153925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).