3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C138H175F3N12O12 — CID 158794752

IUPAC3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)(C)c1ccc(C(CCCN2CCCC2)CC(=O)Nc2ccc3c(c2)OCCO3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1.CC(C)N(C)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.Cc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C.Cc1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1.O=C(CC(c1ccc(C(F)(F)F)nc1)N1CCOCC1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C28H38N2O3.C28H40N2O3.C21H21F3N4O2.C21H27NO.C20H24N2O2.C20H25NO/c1-28(2,3)23-10-8-21(9-11-23)22(7-6-16-30-14-4-5-15-30)19-27(31)29-24-12-13-25-26(20-24)33-18-17-32-25;1-20(2)30(6)15-7-8-22(21-9-11-23(12-10-21)28(3,4)5)18-27(31)29-24-13-14-25-26(19-24)33-17-16-32-25;22-21(23,24)19-4-1-15(13-26-19)18(28-7-9-30-10-8-28)12-20(29)27-16-2-3-17-14(11-16)5-6-25-17;1-15-6-12-19(14-16(15)2)22-20(23)13-9-17-7-10-18(11-8-17)21(3,4)5;1-20(2,3)15-11-8-14(9-12-15)10-13-18(23)22-17-7-5-4-6-16(17)19(21)24;1-15-7-5-6-8-18(15)21-19(22)14-11-16-9-12-17(13-10-16)20(2,3)4/h8-13,20,22H,4-7,14-19H2,1-3H3,(H,29,31);9-14,19-20,22H,7-8,15-18H2,1-6H3,(H,29,31);1-6,11,13,18,25H,7-10,12H2,(H,27,29);6-8,10-12,14H,9,13H2,1-5H3,(H,22,23);4-9,11-12H,10,13H2,1-3H3,(H2,21,24)(H,22,23);5-10,12-13H,11,14H2,1-4H3,(H,21,22)
InChIKeyISSOCOLOQKRIBC-UHFFFAOYSA-N
MW2250.98 g/mol
LogP29.41
Rot. Bonds35

About 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 158794752) has the molecular formula C138H175F3N12O12 and a molecular weight of 2250.98 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID158794752
Molecular FormulaC138H175F3N12O12
Molecular Weight2250.98 g/mol
Exact Mass2249.34
IUPAC Name3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)(C)c1ccc(C(CCCN2CCCC2)CC(=O)Nc2ccc3c(c2)OCCO3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1.CC(C)N(C)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.Cc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C.Cc1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1.O=C(CC(c1ccc(C(F)(F)F)nc1)N1CCOCC1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C28H38N2O3.C28H40N2O3.C21H21F3N4O2.C21H27NO.C20H24N2O2.C20H25NO/c1-28(2,3)23-10-8-21(9-11-23)22(7-6-16-30-14-4-5-15-30)19-27(31)29-24-12-13-25-26(20-24)33-18-17-32-25;1-20(2)30(6)15-7-8-22(21-9-11-23(12-10-21)28(3,4)5)18-27(31)29-24-13-14-25-26(19-24)33-17-16-32-25;22-21(23,24)19-4-1-15(13-26-19)18(28-7-9-30-10-8-28)12-20(29)27-16-2-3-17-14(11-16)5-6-25-17;1-15-6-12-19(14-16(15)2)22-20(23)13-9-17-7-10-18(11-8-17)21(3,4)5;1-20(2,3)15-11-8-14(9-12-15)10-13-18(23)22-17-7-5-4-6-16(17)19(21)24;1-15-7-5-6-8-18(15)21-19(22)14-11-16-9-12-17(13-10-16)20(2,3)4/h8-13,20,22H,4-7,14-19H2,1-3H3,(H,29,31);9-14,19-20,22H,7-8,15-18H2,1-6H3,(H,29,31);1-6,11,13,18,25H,7-10,12H2,(H,27,29);6-8,10-12,14H,9,13H2,1-5H3,(H,22,23);4-9,11-12H,10,13H2,1-3H3,(H2,21,24)(H,22,23);5-10,12-13H,11,14H2,1-4H3,(H,21,22)
InChIKeyISSOCOLOQKRIBC-UHFFFAOYSA-N
XLogP29.41
TPSA302.24 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds35
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002250.98
LogP ≤ 529.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 45106055
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 90773905
3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-3-ylpropanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-7-ylpropanamide
CID 157888321
3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide
CID 158110568
tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide
CID 158453835
3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 158669371
(Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 158673947
3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
CID 158961935
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 159127031
ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide
CID 159148111
3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
CID 159310087
3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
CID 159346093

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 158794752) is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(C)(C)c1ccc(C(CCCN2CCCC2)CC(=O)Nc2ccc3c(c2)OCCO3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1.CC(C)N(C)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.Cc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C.Cc1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1.O=C(CC(c1ccc(C(F)(F)F)nc1)N1CCOCC1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is ISSOCOLOQKRIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3.C28H40N2O3.C21H21F3N4O2.C21H27NO.C20H24N2O2.C20H25NO/c1-28(2,3)23-10-8-21(9-11-23)22(7-6-16-30-14-4-5-15-30)19-27(31)29-24-12-13-25-26(20-24)33-18-17-32-25;1-20(2)30(6)15-7-8-22(21-9-11-23(12-10-21)28(3,4)5)18-27(31)29-24-13-14-25-26(19-24)33-17-16-32-25;22-21(23,24)19-4-1-15(13-26-19)18(28-7-9-30-10-8-28)12-20(29)27-16-2-3-17-14(11-16)5-6-25-17;1-15-6-12-19(14-16(15)2)22-20(23)13-9-17-7-10-18(11-8-17)21(3,4)5;1-20(2,3)15-11-8-14(9-12-15)10-13-18(23)22-17-7-5-4-6-16(17)19(21)24;1-15-7-5-6-8-18(15)21-19(22)14-11-16-9-12-17(13-10-16)20(2,3)4/h8-13,20,22H,4-7,14-19H2,1-3H3,(H,29,31);9-14,19-20,22H,7-8,15-18H2,1-6H3,(H,29,31);1-6,11,13,18,25H,7-10,12H2,(H,27,29);6-8,10-12,14H,9,13H2,1-5H3,(H,22,23);4-9,11-12H,10,13H2,1-3H3,(H2,21,24)(H,22,23);5-10,12-13H,11,14H2,1-4H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 2250.98 g/mol, XLogP of 29.41, 35 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-5-yl)-3-morpholin-4-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 158794752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).