N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone

C211H280F5N15O16S3 — CID 172971295

IUPACN,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone
SMILESC=C1OCCN1c1cccc(C(C)C)c1.CC(=O)c1cc(C(C)C)ccc1F.CC(=O)c1cc(C(C)C)ccn1.CC(=O)c1cc(F)cc(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1F.CC(C)c1cc(F)cc(S(C)(=O)=O)c1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cccc(-n2ccnc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CNC(=O)c1cccc(C(C)C)c1.CNc1cc(C(C)C)ccn1.CO/N=C/c1cc(F)cc(C(C)C)c1.CO/N=C/c1cccc(C(C)C)c1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H17NO.C12H14N2.C12H17NO.C11H14FNO.3C11H13FO.2C11H15NO.C11H14O.C10H13FO2S.C10H16N2.C10H13NO.C10H11N.2C10H14O2S.C10H14.C9H14N2.2C9H13N/c1-10(2)12-5-4-6-13(9-12)14-7-8-15-11(14)3;1-10(2)11-4-3-5-12(8-11)14-7-6-13-9-14;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-8(2)10-4-9(7-13-14-3)5-11(12)6-10;1-7(2)9-4-10(8(3)13)6-11(12)5-9;1-7(2)9-4-5-11(12)10(6-9)8(3)13;1-7(2)9-5-4-6-10(8(3)13)11(9)12;1-9(2)11-6-4-5-10(7-11)8-12-13-3;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-9(11)6-10(5-8)14(3,12)13;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)9-4-5-11-10(6-9)8(3)12;1-8(2)10-5-3-4-9(6-10)7-11;2*1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-4-5-11-9(6-8)10-3;2*1-7(2)9-4-5-10-8(3)6-9/h4-6,9-10H,3,7-8H2,1-2H3;3-10H,1-2H3;5-9H,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;4-9H,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;3-6,8H,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,10,11);2*4-7H,1-3H3/b;;;13-7+;;;;12-8+;;;;;;;;;;;;
InChIKeyMIDGYIWMKDVKNC-FHVDNAMWSA-N
MW3473.84 g/mol
LogP53.51
Rot. Bonds38

About N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone

N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone (PubChem CID 172971295) has the molecular formula C211H280F5N15O16S3 and a molecular weight of 3473.84 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone
PubChem CID172971295
Molecular FormulaC211H280F5N15O16S3
Molecular Weight3473.84 g/mol
Exact Mass3471.06
IUPAC NameN,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone
SMILESC=C1OCCN1c1cccc(C(C)C)c1.CC(=O)c1cc(C(C)C)ccc1F.CC(=O)c1cc(C(C)C)ccn1.CC(=O)c1cc(F)cc(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1F.CC(C)c1cc(F)cc(S(C)(=O)=O)c1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cccc(-n2ccnc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CNC(=O)c1cccc(C(C)C)c1.CNc1cc(C(C)C)ccn1.CO/N=C/c1cc(F)cc(C(C)C)c1.CO/N=C/c1cccc(C(C)C)c1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H17NO.C12H14N2.C12H17NO.C11H14FNO.3C11H13FO.2C11H15NO.C11H14O.C10H13FO2S.C10H16N2.C10H13NO.C10H11N.2C10H14O2S.C10H14.C9H14N2.2C9H13N/c1-10(2)12-5-4-6-13(9-12)14-7-8-15-11(14)3;1-10(2)11-4-3-5-12(8-11)14-7-6-13-9-14;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-8(2)10-4-9(7-13-14-3)5-11(12)6-10;1-7(2)9-4-10(8(3)13)6-11(12)5-9;1-7(2)9-4-5-11(12)10(6-9)8(3)13;1-7(2)9-5-4-6-10(8(3)13)11(9)12;1-9(2)11-6-4-5-10(7-11)8-12-13-3;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-9(11)6-10(5-8)14(3,12)13;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)9-4-5-11-10(6-9)8(3)12;1-8(2)10-5-3-4-9(6-10)7-11;2*1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-4-5-11-9(6-8)10-3;2*1-7(2)9-4-5-10-8(3)6-9/h4-6,9-10H,3,7-8H2,1-2H3;3-10H,1-2H3;5-9H,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;4-9H,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;3-6,8H,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,10,11);2*4-7H,1-3H3/b;;;13-7+;;;;12-8+;;;;;;;;;;;;
InChIKeyMIDGYIWMKDVKNC-FHVDNAMWSA-N
XLogP53.51
TPSA414.16 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds38
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003473.84
LogP ≤ 553.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide
CID 162013225
1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 172973464
N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide
CID 157106111
N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2,4-dimethylpyridine;1-hydroxy-4-methyl-N-propan-2-ylpyridin-1-ium-2-amine;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;4-methyl-3-methylsulfonylpyridine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-propan-2-ylpyridin-2-amine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;N,N,4-trimethylpyridin-3-amine
CID 157217218
CID 157297381
CID 157297381
4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;6-methylpyrimidin-4-amine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide
CID 160149598
N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;1-hydroxy-4-methylpyridin-1-ium;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-imine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;4-methyl-3-methylsulfonylpyridine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;(4-methyl-3-pyridinyl)methanamine;N-(4-methyl-2-pyridinyl)propan-2-imine;4-methylpyrimidine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine
CID 160476150
CID 160515376
CID 160515376

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone?
The IUPAC name of N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone (CID 172971295) is N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone.
What is the SMILES notation for N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone?
The canonical SMILES for N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone is C=C1OCCN1c1cccc(C(C)C)c1.CC(=O)c1cc(C(C)C)ccc1F.CC(=O)c1cc(C(C)C)ccn1.CC(=O)c1cc(F)cc(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1F.CC(C)c1cc(F)cc(S(C)(=O)=O)c1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cccc(-n2ccnc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CNC(=O)c1cccc(C(C)C)c1.CNc1cc(C(C)C)ccn1.CO/N=C/c1cc(F)cc(C(C)C)c1.CO/N=C/c1cccc(C(C)C)c1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone?
The InChIKey is MIDGYIWMKDVKNC-FHVDNAMWSA-N. The full InChI is InChI=1S/C13H17NO.C12H14N2.C12H17NO.C11H14FNO.3C11H13FO.2C11H15NO.C11H14O.C10H13FO2S.C10H16N2.C10H13NO.C10H11N.2C10H14O2S.C10H14.C9H14N2.2C9H13N/c1-10(2)12-5-4-6-13(9-12)14-7-8-15-11(14)3;1-10(2)11-4-3-5-12(8-11)14-7-6-13-9-14;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-8(2)10-4-9(7-13-14-3)5-11(12)6-10;1-7(2)9-4-10(8(3)13)6-11(12)5-9;1-7(2)9-4-5-11(12)10(6-9)8(3)13;1-7(2)9-5-4-6-10(8(3)13)11(9)12;1-9(2)11-6-4-5-10(7-11)8-12-13-3;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-9(11)6-10(5-8)14(3,12)13;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)9-4-5-11-10(6-9)8(3)12;1-8(2)10-5-3-4-9(6-10)7-11;2*1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-4-5-11-9(6-8)10-3;2*1-7(2)9-4-5-10-8(3)6-9/h4-6,9-10H,3,7-8H2,1-2H3;3-10H,1-2H3;5-9H,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;4-9H,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;3-6,8H,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,10,11);2*4-7H,1-3H3/b;;;13-7+;;;;12-8+;;;;;;;;;;;;.
What are the key properties of N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone?
N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone has a molecular weight of 3473.84 g/mol, XLogP of 53.51, 38 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 172971295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).