1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide

C155H245Cl3F4N12O17 — CID 157101030

IUPAC1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide
SMILESCC(C)CC(=O)CCc1ccccc1.CC(C)CC(=O)CCl.CC(C)CC(=O)CN(C)C.CC(C)CC(=O)CN(C)C.CC(C)CC(=O)CN1CCN(C)CC1.CC(C)CC(=O)CN1CCOCC1.CC(C)CC(=O)Cc1ccc(F)cc1.CC(C)CC(=O)Cc1ccc(OC(F)(F)F)cc1.CC(C)CC(=O)Cc1ccccc1.CC(C)CC(=O)c1ccc(Cl)cc1.CC(C)NC(=O)C1CC1.CC(C)NC(=O)c1ccc(Cl)nc1.CC(C)c1cccc(C(N)=O)c1.CCN(CC)CC(=O)CC(C)C.COc1ccccc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H24N2O.C13H15F3O2.C13H18O.C12H15FO.C12H16O.C11H13ClO.C11H22N2O.C10H19NO2.C10H13NO.C10H21NO.C9H11ClN2O.2C8H17NO.C7H13NO.C6H11ClO/c1-13(2)12-16-8-10-17(11-9-16)14-6-4-5-7-15(14)18-3;1-9(2)7-11(17)8-10-3-5-12(6-4-10)18-13(14,15)16;1-11(2)10-13(14)9-8-12-6-4-3-5-7-12;1-9(2)7-12(14)8-10-3-5-11(13)6-4-10;1-10(2)8-12(13)9-11-6-4-3-5-7-11;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-10(2)8-11(14)9-13-6-4-12(3)5-7-13;1-9(2)7-10(12)8-11-3-5-13-6-4-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-5-11(6-2)8-10(12)7-9(3)4;1-6(2)12-9(13)7-3-4-8(10)11-5-7;2*1-7(2)5-8(10)6-9(3)4;1-5(2)8-7(9)6-3-4-6;1-5(2)3-6(8)4-7/h4-7,13H,8-12H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-7,11H,8-10H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-6,8H,7H2,1-2H3;10H,4-9H2,1-3H3;9H,3-8H2,1-2H3;3-7H,1-2H3,(H2,11,12);9H,5-8H2,1-4H3;3-6H,1-2H3,(H,12,13);2*7H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3,(H,8,9);5H,3-4H2,1-2H3
InChIKeyAFTLLQAKZUWITF-UHFFFAOYSA-N
MW2731.08 g/mol
LogP31.44
Rot. Bonds56

About 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide

1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide (PubChem CID 157101030) has the molecular formula C155H245Cl3F4N12O17 and a molecular weight of 2731.08 g/mol. Its IUPAC name is 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide.

Molecular Properties

Compound Name1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide
PubChem CID157101030
Molecular FormulaC155H245Cl3F4N12O17
Molecular Weight2731.08 g/mol
Exact Mass2727.77
IUPAC Name1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide
SMILESCC(C)CC(=O)CCc1ccccc1.CC(C)CC(=O)CCl.CC(C)CC(=O)CN(C)C.CC(C)CC(=O)CN(C)C.CC(C)CC(=O)CN1CCN(C)CC1.CC(C)CC(=O)CN1CCOCC1.CC(C)CC(=O)Cc1ccc(F)cc1.CC(C)CC(=O)Cc1ccc(OC(F)(F)F)cc1.CC(C)CC(=O)Cc1ccccc1.CC(C)CC(=O)c1ccc(Cl)cc1.CC(C)NC(=O)C1CC1.CC(C)NC(=O)c1ccc(Cl)nc1.CC(C)c1cccc(C(N)=O)c1.CCN(CC)CC(=O)CC(C)C.COc1ccccc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H24N2O.C13H15F3O2.C13H18O.C12H15FO.C12H16O.C11H13ClO.C11H22N2O.C10H19NO2.C10H13NO.C10H21NO.C9H11ClN2O.2C8H17NO.C7H13NO.C6H11ClO/c1-13(2)12-16-8-10-17(11-9-16)14-6-4-5-7-15(14)18-3;1-9(2)7-11(17)8-10-3-5-12(6-4-10)18-13(14,15)16;1-11(2)10-13(14)9-8-12-6-4-3-5-7-12;1-9(2)7-12(14)8-10-3-5-11(13)6-4-10;1-10(2)8-12(13)9-11-6-4-3-5-7-11;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-10(2)8-11(14)9-13-6-4-12(3)5-7-13;1-9(2)7-10(12)8-11-3-5-13-6-4-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-5-11(6-2)8-10(12)7-9(3)4;1-6(2)12-9(13)7-3-4-8(10)11-5-7;2*1-7(2)5-8(10)6-9(3)4;1-5(2)8-7(9)6-3-4-6;1-5(2)3-6(8)4-7/h4-7,13H,8-12H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-7,11H,8-10H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-6,8H,7H2,1-2H3;10H,4-9H2,1-3H3;9H,3-8H2,1-2H3;3-7H,1-2H3,(H2,11,12);9H,5-8H2,1-4H3;3-6H,1-2H3,(H,12,13);2*7H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3,(H,8,9);5H,3-4H2,1-2H3
InChIKeyAFTLLQAKZUWITF-UHFFFAOYSA-N
XLogP31.44
TPSA355.56 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds56
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002731.08
LogP ≤ 531.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide with MolForge

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Related Compounds

[3-(4-chloro-3-fluorophenoxy)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[2-(3-hydroxypropyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazine-2-carboxamide
CID 157663593
3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide
CID 158200111
1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;1-[3-(dimethylamino)propylamino]-4-methylpentan-2-one;(4S,5R)-4,5-dimethyl-1,3-dioxolane;(5S,6R)-5,6-dimethylmorpholin-3-one;(4S,5S)-4,5-dimethyloxolan-2-one;1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;3-methyl-1-(3-phenylmethoxycyclobutyl)butan-1-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide
CID 159624228
1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;1-[3-(dimethylamino)propylamino]-4-methylpentan-2-one;1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide
CID 160808049
1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;1-(dimethylamino)-4-methylpentan-2-one;1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide
CID 161645034
N-benzyl-N,1-dimethylpiperidine-4-carboxamide;N-benzyl-1-methylpiperidine-4-carboxamide;(4-chlorophenyl)-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-phenylpiperidine-4-carboxamide;1-(4-ethoxyphenyl)-4-methylpiperazine;1-methyl-N-phenylpiperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)benzamide;N-(1-methylpiperidin-4-yl)-2-phenylacetamide;(1-methyl-4-pyridin-3-ylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methyl-4-pyridin-4-ylpiperidin-4-yl)-morpholin-4-ylmethanone;toluene
CID 158108688
N-[(4-chlorophenyl)methyl]-2-methylpropanamide;N,3-dimethyl-N-propan-2-ylbutanamide;3,3-dimethyl-N-propan-2-ylbutanamide;N,2-dimethyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;N-[2-(4-fluorophenyl)ethyl]-2-methylpropanamide;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methylpropanamide;N-(6-methoxy-3-pyridinyl)-2-methylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-N-phenacylpropanamide;2-methyl-1-piperidin-1-ylpropan-1-one;3-methyl-N-propan-2-ylbutanamide;N-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropanamide;N,3,3-trimethyl-N-propan-2-ylbutanamide;N,2,2-trimethyl-N-propan-2-ylpropanamide
CID 158938118

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide?
The IUPAC name of 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide (CID 157101030) is 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide.
What is the SMILES notation for 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide?
The canonical SMILES for 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide is CC(C)CC(=O)CCc1ccccc1.CC(C)CC(=O)CCl.CC(C)CC(=O)CN(C)C.CC(C)CC(=O)CN(C)C.CC(C)CC(=O)CN1CCN(C)CC1.CC(C)CC(=O)CN1CCOCC1.CC(C)CC(=O)Cc1ccc(F)cc1.CC(C)CC(=O)Cc1ccc(OC(F)(F)F)cc1.CC(C)CC(=O)Cc1ccccc1.CC(C)CC(=O)c1ccc(Cl)cc1.CC(C)NC(=O)C1CC1.CC(C)NC(=O)c1ccc(Cl)nc1.CC(C)c1cccc(C(N)=O)c1.CCN(CC)CC(=O)CC(C)C.COc1ccccc1N1CCN(CC(C)C)CC1.
What is the InChIKey of 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide?
The InChIKey is AFTLLQAKZUWITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C13H15F3O2.C13H18O.C12H15FO.C12H16O.C11H13ClO.C11H22N2O.C10H19NO2.C10H13NO.C10H21NO.C9H11ClN2O.2C8H17NO.C7H13NO.C6H11ClO/c1-13(2)12-16-8-10-17(11-9-16)14-6-4-5-7-15(14)18-3;1-9(2)7-11(17)8-10-3-5-12(6-4-10)18-13(14,15)16;1-11(2)10-13(14)9-8-12-6-4-3-5-7-12;1-9(2)7-12(14)8-10-3-5-11(13)6-4-10;1-10(2)8-12(13)9-11-6-4-3-5-7-11;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-10(2)8-11(14)9-13-6-4-12(3)5-7-13;1-9(2)7-10(12)8-11-3-5-13-6-4-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-5-11(6-2)8-10(12)7-9(3)4;1-6(2)12-9(13)7-3-4-8(10)11-5-7;2*1-7(2)5-8(10)6-9(3)4;1-5(2)8-7(9)6-3-4-6;1-5(2)3-6(8)4-7/h4-7,13H,8-12H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-7,11H,8-10H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-6,8H,7H2,1-2H3;10H,4-9H2,1-3H3;9H,3-8H2,1-2H3;3-7H,1-2H3,(H2,11,12);9H,5-8H2,1-4H3;3-6H,1-2H3,(H,12,13);2*7H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3,(H,8,9);5H,3-4H2,1-2H3.
What are the key properties of 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide?
1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide has a molecular weight of 2731.08 g/mol, XLogP of 31.44, 56 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylpentan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-one;6-chloro-N-propan-2-ylpyridine-3-carboxamide;1-(diethylamino)-4-methylpentan-2-one;bis(1-(dimethylamino)-4-methylpentan-2-one);1-(4-fluorophenyl)-4-methylpentan-2-one;1-(2-methoxyphenyl)-4-(2-methylpropyl)piperazine;4-methyl-1-(4-methylpiperazin-1-yl)pentan-2-one;4-methyl-1-morpholin-4-ylpentan-2-one;5-methyl-1-phenylhexan-3-one;4-methyl-1-phenylpentan-2-one;4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one;3-propan-2-ylbenzamide;N-propan-2-ylcyclopropanecarboxamide is sourced from PubChem (CID 157101030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).