1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide

C133H200F12N20O10 — CID 158557447

IUPAC1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)C(C)C.CC(C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)CC(=O)C1CC1.CCN1CCN(Cc2ccc(C(=O)CC(C)C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)C(C)C)cc2)CC1.CCN1CCN(Cc2ccc(NC(=O)C(C)C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)NC(C)C)cc2C(F)(F)F)CC1.CNC(=O)C(C)C.Cc1cc(NC(=O)C(C)C)cc(-n2cnc(C)c2)c1.Cc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C19H27F3N2O.C18H27F3N4O.C18H26F3N3O.C17H24F3N3O.C17H27N3O.C15H19N3O.C11H15NO.C8H14O.C5H11NO.C5H10O/c1-4-23-7-9-24(10-8-23)13-16-6-5-15(18(25)11-14(2)3)12-17(16)19(20,21)22;1-4-24-7-9-25(10-8-24)12-14-5-6-15(11-16(14)18(19,20)21)23-17(26)22-13(2)3;1-4-23-7-9-24(10-8-23)12-14-5-6-15(22-17(25)13(2)3)11-16(14)18(19,20)21;1-12(2)16(24)21-14-5-4-13(15(10-14)17(18,19)20)11-23-8-6-22(3)7-9-23;1-4-19-9-11-20(12-10-19)13-15-5-7-16(8-6-15)18-17(21)14(2)3;1-10(2)15(19)17-13-5-11(3)6-14(7-13)18-8-12(4)16-9-18;1-8(2)11(13)12-10-6-4-5-9(3)7-10;1-6(2)5-8(9)7-3-4-7;1-4(2)5(7)6-3;1-4(2)5(3)6/h5-6,12,14H,4,7-11,13H2,1-3H3;5-6,11,13H,4,7-10,12H2,1-3H3,(H2,22,23,26);5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,25);4-5,10,12H,6-9,11H2,1-3H3,(H,21,24);5-8,14H,4,9-13H2,1-3H3,(H,18,21);5-10H,1-4H3,(H,17,19);4-8H,1-3H3,(H,12,13);6-7H,3-5H2,1-2H3;4H,1-3H3,(H,6,7);4H,1-3H3
InChIKeyHQLSBTXATMFQPE-UHFFFAOYSA-N
MW2467.17 g/mol
LogP25.65
Rot. Bonds35

About 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide

1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 158557447) has the molecular formula C133H200F12N20O10 and a molecular weight of 2467.17 g/mol. Its IUPAC name is 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide
PubChem CID158557447
Molecular FormulaC133H200F12N20O10
Molecular Weight2467.17 g/mol
Exact Mass2465.56
IUPAC Name1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)C(C)C.CC(C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)CC(=O)C1CC1.CCN1CCN(Cc2ccc(C(=O)CC(C)C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)C(C)C)cc2)CC1.CCN1CCN(Cc2ccc(NC(=O)C(C)C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)NC(C)C)cc2C(F)(F)F)CC1.CNC(=O)C(C)C.Cc1cc(NC(=O)C(C)C)cc(-n2cnc(C)c2)c1.Cc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C19H27F3N2O.C18H27F3N4O.C18H26F3N3O.C17H24F3N3O.C17H27N3O.C15H19N3O.C11H15NO.C8H14O.C5H11NO.C5H10O/c1-4-23-7-9-24(10-8-23)13-16-6-5-15(18(25)11-14(2)3)12-17(16)19(20,21)22;1-4-24-7-9-25(10-8-24)12-14-5-6-15(11-16(14)18(19,20)21)23-17(26)22-13(2)3;1-4-23-7-9-24(10-8-23)12-14-5-6-15(22-17(25)13(2)3)11-16(14)18(19,20)21;1-12(2)16(24)21-14-5-4-13(15(10-14)17(18,19)20)11-23-8-6-22(3)7-9-23;1-4-19-9-11-20(12-10-19)13-15-5-7-16(8-6-15)18-17(21)14(2)3;1-10(2)15(19)17-13-5-11(3)6-14(7-13)18-8-12(4)16-9-18;1-8(2)11(13)12-10-6-4-5-9(3)7-10;1-6(2)5-8(9)7-3-4-7;1-4(2)5(7)6-3;1-4(2)5(3)6/h5-6,12,14H,4,7-11,13H2,1-3H3;5-6,11,13H,4,7-10,12H2,1-3H3,(H2,22,23,26);5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,25);4-5,10,12H,6-9,11H2,1-3H3,(H,21,24);5-8,14H,4,9-13H2,1-3H3,(H,18,21);5-10H,1-4H3,(H,17,19);4-8H,1-3H3,(H,12,13);6-7H,3-5H2,1-2H3;4H,1-3H3,(H,6,7);4H,1-3H3
InChIKeyHQLSBTXATMFQPE-UHFFFAOYSA-N
XLogP25.65
TPSA317.16 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds35
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002467.17
LogP ≤ 525.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide with MolForge

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Related Compounds

(E)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methyl-3-(2-(5-(2-methyl-6-(piperazin-1-yl)pyrimidin-4-ylamino)pyrazin-2-yl)vinyl)benzamide
CID 24816492
N-[3-[7-[[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 145972836
4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 145978369
N-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(E)-2-[5-[(2-methyl-6-piperazino-pyrimidin-4-yl)amino]pyrazin-2-yl]vinyl]benzamide;2,2,2-trifluoroacetic acid
CID 24816493
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[5-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazin-2-yl]ethenyl]benzamide;2,2,2-trifluoroacetic acid
CID 56965888
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide
CID 11519945
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 11541740
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 11707142
N-[3-[[5-[6-(cyclopropylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]-4-methylphenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 24742275
N-[3-[[3-[6-(cyclopropylamino)pyrimidin-4-yl]pyridin-2-yl]amino]-4-methylphenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 24743042
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(E)-2-[5-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazin-2-yl]ethenyl]benzamide
CID 53339749
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(E)-2-[5-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazin-2-yl]ethenyl]benzamide
CID 53339853

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide (CID 158557447) is 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide is CC(=O)C(C)C.CC(C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)CC(=O)C1CC1.CCN1CCN(Cc2ccc(C(=O)CC(C)C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)C(C)C)cc2)CC1.CCN1CCN(Cc2ccc(NC(=O)C(C)C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)NC(C)C)cc2C(F)(F)F)CC1.CNC(=O)C(C)C.Cc1cc(NC(=O)C(C)C)cc(-n2cnc(C)c2)c1.Cc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HQLSBTXATMFQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O.C18H27F3N4O.C18H26F3N3O.C17H24F3N3O.C17H27N3O.C15H19N3O.C11H15NO.C8H14O.C5H11NO.C5H10O/c1-4-23-7-9-24(10-8-23)13-16-6-5-15(18(25)11-14(2)3)12-17(16)19(20,21)22;1-4-24-7-9-25(10-8-24)12-14-5-6-15(11-16(14)18(19,20)21)23-17(26)22-13(2)3;1-4-23-7-9-24(10-8-23)12-14-5-6-15(22-17(25)13(2)3)11-16(14)18(19,20)21;1-12(2)16(24)21-14-5-4-13(15(10-14)17(18,19)20)11-23-8-6-22(3)7-9-23;1-4-19-9-11-20(12-10-19)13-15-5-7-16(8-6-15)18-17(21)14(2)3;1-10(2)15(19)17-13-5-11(3)6-14(7-13)18-8-12(4)16-9-18;1-8(2)11(13)12-10-6-4-5-9(3)7-10;1-6(2)5-8(9)7-3-4-7;1-4(2)5(7)6-3;1-4(2)5(3)6/h5-6,12,14H,4,7-11,13H2,1-3H3;5-6,11,13H,4,7-10,12H2,1-3H3,(H2,22,23,26);5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,25);4-5,10,12H,6-9,11H2,1-3H3,(H,21,24);5-8,14H,4,9-13H2,1-3H3,(H,18,21);5-10H,1-4H3,(H,17,19);4-8H,1-3H3,(H,12,13);6-7H,3-5H2,1-2H3;4H,1-3H3,(H,6,7);4H,1-3H3.
What are the key properties of 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide?
1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 2467.17 g/mol, XLogP of 25.65, 35 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methylbutan-1-one;N,2-dimethylpropanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-methylpropanamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-propan-2-ylurea;3-methylbutan-2-one;2-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]propanamide;2-methyl-N-(3-methylphenyl)propanamide;2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 158557447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).