4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide

C202H238F9N27O20 — CID 160844009

IUPAC4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide
SMILESCCN(CC)CCCC(=O)c1ccccc1Cc1ccc(OC)cc1.CCN(CC)CCCCC(=O)c1ccccc1Cc1ccc(OC)cc1.CN(C)CCNC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1.COc1ccc(Nc2ccc(C(=O)NCCN(C)C)cc2C)cc1.COc1ccc(Nc2ccccc2C(=O)NCCCn2ccnc2)cc1.COc1cccc(Cc2ccc(C(=O)NCCC(C)C)cc2C)c1.COc1cccc(Nc2ccc(C(=O)NCCN(C)C)cc2)c1.COc1cccc(Nc2ccccc2C(=O)NCCCn2ccnc2)c1.O=C(NCCCn1ccnc1)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1.O=C(NCCCn1ccnc1)c1ccccc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H31NO2.C22H29NO2.C21H20F3N3O2.C21H27NO2.C20H19F3N4O2.2C20H22N4O2.C19H25N3O2.C18H20F3N3O2.C18H23N3O2/c1-4-24(5-2)17-9-8-12-23(25)22-11-7-6-10-20(22)18-19-13-15-21(26-3)16-14-19;1-4-23(5-2)16-8-11-22(24)21-10-7-6-9-19(21)17-18-12-14-20(25-3)15-13-18;22-21(23,24)29-19-8-4-17(5-9-19)14-16-2-6-18(7-3-16)20(28)26-10-1-12-27-13-11-25-15-27;1-15(2)10-11-22-21(23)19-9-8-18(16(3)12-19)13-17-6-5-7-20(14-17)24-4;21-20(22,23)29-16-8-6-15(7-9-16)26-18-5-2-1-4-17(18)19(28)25-10-3-12-27-13-11-24-14-27;1-26-17-7-4-6-16(14-17)23-19-9-3-2-8-18(19)20(25)22-10-5-12-24-13-11-21-15-24;1-26-17-9-7-16(8-10-17)23-19-6-3-2-5-18(19)20(25)22-11-4-13-24-14-12-21-15-24;1-14-13-15(19(23)20-11-12-22(2)3)5-10-18(14)21-16-6-8-17(24-4)9-7-16;1-24(2)12-11-22-17(25)13-3-5-14(6-4-13)23-15-7-9-16(10-8-15)26-18(19,20)21;1-21(2)12-11-19-18(22)14-7-9-15(10-8-14)20-16-5-4-6-17(13-16)23-3/h6-7,10-11,13-16H,4-5,8-9,12,17-18H2,1-3H3;6-7,9-10,12-15H,4-5,8,11,16-17H2,1-3H3;2-9,11,13,15H,1,10,12,14H2,(H,26,28);5-9,12,14-15H,10-11,13H2,1-4H3,(H,22,23);1-2,4-9,11,13-14,26H,3,10,12H2,(H,25,28);2-4,6-9,11,13-15,23H,5,10,12H2,1H3,(H,22,25);2-3,5-10,12,14-15,23H,4,11,13H2,1H3,(H,22,25);5-10,13,21H,11-12H2,1-4H3,(H,20,23);3-10,23H,11-12H2,1-2H3,(H,22,25);4-10,13,20H,11-12H2,1-3H3,(H,19,22)
InChIKeySIKCKRKVHCJKKW-UHFFFAOYSA-N
MW3535.28 g/mol
LogP38.78
Rot. Bonds81

About 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide

4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide (PubChem CID 160844009) has the molecular formula C202H238F9N27O20 and a molecular weight of 3535.28 g/mol. Its IUPAC name is 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide
PubChem CID160844009
Molecular FormulaC202H238F9N27O20
Molecular Weight3535.28 g/mol
Exact Mass3532.83
IUPAC Name4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide
SMILESCCN(CC)CCCC(=O)c1ccccc1Cc1ccc(OC)cc1.CCN(CC)CCCCC(=O)c1ccccc1Cc1ccc(OC)cc1.CN(C)CCNC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1.COc1ccc(Nc2ccc(C(=O)NCCN(C)C)cc2C)cc1.COc1ccc(Nc2ccccc2C(=O)NCCCn2ccnc2)cc1.COc1cccc(Cc2ccc(C(=O)NCCC(C)C)cc2C)c1.COc1cccc(Nc2ccc(C(=O)NCCN(C)C)cc2)c1.COc1cccc(Nc2ccccc2C(=O)NCCCn2ccnc2)c1.O=C(NCCCn1ccnc1)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1.O=C(NCCCn1ccnc1)c1ccccc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H31NO2.C22H29NO2.C21H20F3N3O2.C21H27NO2.C20H19F3N4O2.2C20H22N4O2.C19H25N3O2.C18H20F3N3O2.C18H23N3O2/c1-4-24(5-2)17-9-8-12-23(25)22-11-7-6-10-20(22)18-19-13-15-21(26-3)16-14-19;1-4-23(5-2)16-8-11-22(24)21-10-7-6-9-19(21)17-18-12-14-20(25-3)15-13-18;22-21(23,24)29-19-8-4-17(5-9-19)14-16-2-6-18(7-3-16)20(28)26-10-1-12-27-13-11-25-15-27;1-15(2)10-11-22-21(23)19-9-8-18(16(3)12-19)13-17-6-5-7-20(14-17)24-4;21-20(22,23)29-16-8-6-15(7-9-16)26-18-5-2-1-4-17(18)19(28)25-10-3-12-27-13-11-24-14-27;1-26-17-7-4-6-16(14-17)23-19-9-3-2-8-18(19)20(25)22-10-5-12-24-13-11-21-15-24;1-26-17-9-7-16(8-10-17)23-19-6-3-2-5-18(19)20(25)22-11-4-13-24-14-12-21-15-24;1-14-13-15(19(23)20-11-12-22(2)3)5-10-18(14)21-16-6-8-17(24-4)9-7-16;1-24(2)12-11-22-17(25)13-3-5-14(6-4-13)23-15-7-9-16(10-8-15)26-18(19,20)21;1-21(2)12-11-19-18(22)14-7-9-15(10-8-14)20-16-5-4-6-17(13-16)23-3/h6-7,10-11,13-16H,4-5,8-9,12,17-18H2,1-3H3;6-7,9-10,12-15H,4-5,8,11,16-17H2,1-3H3;2-9,11,13,15H,1,10,12,14H2,(H,26,28);5-9,12,14-15H,10-11,13H2,1-4H3,(H,22,23);1-2,4-9,11,13-14,26H,3,10,12H2,(H,25,28);2-4,6-9,11,13-15,23H,5,10,12H2,1H3,(H,22,25);2-3,5-10,12,14-15,23H,4,11,13H2,1H3,(H,22,25);5-10,13,21H,11-12H2,1-4H3,(H,20,23);3-10,23H,11-12H2,1-2H3,(H,22,25);4-10,13,20H,11-12H2,1-3H3,(H,19,22)
InChIKeySIKCKRKVHCJKKW-UHFFFAOYSA-N
XLogP38.78
TPSA518.90 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds81
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003535.28
LogP ≤ 538.78
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide with MolForge

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Related Compounds

4-(5-chloro-1H-imidazol-2-yl)-N-(4-methoxyphenyl)-2-methylaniline;N-[2-(diethylamino)ethyl]-4-(4-methoxyanilino)benzamide;4-[4-(diethylaminomethyl)triazol-1-yl]-N-(4-methoxyphenyl)aniline;N-[4-[4-(diethylaminomethyl)triazol-1-yl]phenyl]-3-methoxyaniline;4-[4-(diethylaminomethyl)triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]aniline;N-[3-(dimethylamino)propyl]-4-(4-methoxyanilino)benzamide;3-[1-[4-(3-methoxyanilino)phenyl]triazol-4-yl]propan-1-ol;3-[1-[4-(4-methoxyanilino)phenyl]triazol-4-yl]propan-1-ol;4-[(3-methoxyphenyl)methyl]-N-(3-methylbutyl)benzamide;4-[(4-methoxyphenyl)methyl]-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 157144846
4-benzyl-N-[3-(diethylamino)propyl]-3-methylbenzamide;N-[4-[[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]methyl]phenyl]-3-methoxybenzamide;N-[4-[4-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[3-[3-[5-(diethylamino)pentanoyl]anilino]phenyl]-3-methoxybenzamide;N-[3-(diethylamino)propyl]-4-[3-[(3-methoxybenzoyl)amino]anilino]-3-methylbenzamide;N-[3-(diethylamino)propyl]-3-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[3-[4-[4-(3-hydroxypropyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[4-(3-hydroxypropyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-methyl-N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 157731073
2-anilino-N-[3-(diethylamino)propyl]benzamide;4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[5-(diethylamino)pentan-2-yl]-2-[4-(dimethylamino)anilino]benzamide;N-[3-(diethylamino)propyl]-2-(4-hydroxyanilino)benzamide;2-[4-(dimethylamino)anilino]-N-(3-imidazol-1-ylpropyl)benzamide;N-[2-(dimethylamino)ethyl]-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide
CID 157912998
2-[[4-[4-(Dimethylamino)benzoyl]oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-(2-imidazol-1-ylbenzoyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-(4-imidazol-1-ylbenzoyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid
CID 158145489
CID 158356893
CID 158356893
1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 158997079
1-(2,4-Dimethyldibenzofuran-3-yl)-3-methyl-2-(3-methyldibenzofuran-4-yl)imidazol-3-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(3-methyldibenzofuran-4-yl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium
CID 157957836

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide (CID 160844009) is 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide is CCN(CC)CCCC(=O)c1ccccc1Cc1ccc(OC)cc1.CCN(CC)CCCCC(=O)c1ccccc1Cc1ccc(OC)cc1.CN(C)CCNC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1.COc1ccc(Nc2ccc(C(=O)NCCN(C)C)cc2C)cc1.COc1ccc(Nc2ccccc2C(=O)NCCCn2ccnc2)cc1.COc1cccc(Cc2ccc(C(=O)NCCC(C)C)cc2C)c1.COc1cccc(Nc2ccc(C(=O)NCCN(C)C)cc2)c1.COc1cccc(Nc2ccccc2C(=O)NCCCn2ccnc2)c1.O=C(NCCCn1ccnc1)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1.O=C(NCCCn1ccnc1)c1ccccc1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is SIKCKRKVHCJKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.C22H29NO2.C21H20F3N3O2.C21H27NO2.C20H19F3N4O2.2C20H22N4O2.C19H25N3O2.C18H20F3N3O2.C18H23N3O2/c1-4-24(5-2)17-9-8-12-23(25)22-11-7-6-10-20(22)18-19-13-15-21(26-3)16-14-19;1-4-23(5-2)16-8-11-22(24)21-10-7-6-9-19(21)17-18-12-14-20(25-3)15-13-18;22-21(23,24)29-19-8-4-17(5-9-19)14-16-2-6-18(7-3-16)20(28)26-10-1-12-27-13-11-25-15-27;1-15(2)10-11-22-21(23)19-9-8-18(16(3)12-19)13-17-6-5-7-20(14-17)24-4;21-20(22,23)29-16-8-6-15(7-9-16)26-18-5-2-1-4-17(18)19(28)25-10-3-12-27-13-11-24-14-27;1-26-17-7-4-6-16(14-17)23-19-9-3-2-8-18(19)20(25)22-10-5-12-24-13-11-21-15-24;1-26-17-9-7-16(8-10-17)23-19-6-3-2-5-18(19)20(25)22-11-4-13-24-14-12-21-15-24;1-14-13-15(19(23)20-11-12-22(2)3)5-10-18(14)21-16-6-8-17(24-4)9-7-16;1-24(2)12-11-22-17(25)13-3-5-14(6-4-13)23-15-7-9-16(10-8-15)26-18(19,20)21;1-21(2)12-11-19-18(22)14-7-9-15(10-8-14)20-16-5-4-6-17(13-16)23-3/h6-7,10-11,13-16H,4-5,8-9,12,17-18H2,1-3H3;6-7,9-10,12-15H,4-5,8,11,16-17H2,1-3H3;2-9,11,13,15H,1,10,12,14H2,(H,26,28);5-9,12,14-15H,10-11,13H2,1-4H3,(H,22,23);1-2,4-9,11,13-14,26H,3,10,12H2,(H,25,28);2-4,6-9,11,13-15,23H,5,10,12H2,1H3,(H,22,25);2-3,5-10,12,14-15,23H,4,11,13H2,1H3,(H,22,25);5-10,13,21H,11-12H2,1-4H3,(H,20,23);3-10,23H,11-12H2,1-2H3,(H,22,25);4-10,13,20H,11-12H2,1-3H3,(H,19,22).
What are the key properties of 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide?
4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide has a molecular weight of 3535.28 g/mol, XLogP of 38.78, 81 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one;5-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]pentan-1-one;N-[2-(dimethylamino)ethyl]-4-(3-methoxyanilino)benzamide;N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-methylbenzamide;N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-2-(3-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-(4-methoxyanilino)benzamide;N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethoxy)anilino]benzamide;N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;4-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 160844009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).