N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine

C178H242FN19O9S2 — CID 158795512

IUPACN-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine
SMILESCC(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)c1ccc(F)cc1.CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)C(=O)NC(c1ccccc1)c1ccccc1.CC(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1cnc(N)c(OCC2CC2)c1.CC(C)c1cnn(C(C)C)c1.CCn1cc(C(C)C)cn1.COCc1ccc(C(C)(C)C)cc1.Cc1c(C(C)C)ccc2nn(C)cc12.Cc1cc(C(C)C)cc2cn(C)nc12
InChIInChI=1S/C18H18FNO2S.C17H19NO.C15H23NO2S.C14H19NO.C14H21N.C13H17NO.C12H18N2O.2C12H16N2.C12H18O.C11H14N2.C11H13N.C9H16N2.C8H14N2/c1-18(2,3)17-12-13-6-4-5-7-16(13)20(17)23(21,22)15-10-8-14(19)9-11-15;1-13(2)17(19)18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-12(2)10-11-13-8-6-7-9-14(13)19(17,18)16-15(3,4)5;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-8(2)10-5-9(3)12-11(6-10)7-14(4)13-12;1-8(2)10-5-6-12-11(9(10)3)7-14(4)13-12;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-10-11(6-9)8(3)4;1-4-10-6-8(5-9-10)7(2)3/h4-12H,1-3H3;3-13,16H,1-2H3,(H,18,19);6-12,16H,1-5H3;4-6,9,12H,7-8H2,1-3H3,(H,15,16);6-9,12H,3-5,10-11H2,1-2H3;4-10H,1-3H3,(H,14,15);5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);2*5-8H,1-4H3;5-8H,9H2,1-4H3;4-8H,1-3H3;3-8,12H,1-2H3;5-8H,1-4H3;5-7H,4H2,1-3H3/b;;;;;9-8+;;;;;;;;
InChIKeyISUWFDBWJVRJOH-LLCYZPSCSA-N
MW2875.15 g/mol
LogP43.61
Rot. Bonds31

About N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine

N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine (PubChem CID 158795512) has the molecular formula C178H242FN19O9S2 and a molecular weight of 2875.15 g/mol. Its IUPAC name is N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound NameN-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine
PubChem CID158795512
Molecular FormulaC178H242FN19O9S2
Molecular Weight2875.15 g/mol
Exact Mass2872.85
IUPAC NameN-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine
SMILESCC(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)c1ccc(F)cc1.CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)C(=O)NC(c1ccccc1)c1ccccc1.CC(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1cnc(N)c(OCC2CC2)c1.CC(C)c1cnn(C(C)C)c1.CCn1cc(C(C)C)cn1.COCc1ccc(C(C)(C)C)cc1.Cc1c(C(C)C)ccc2nn(C)cc12.Cc1cc(C(C)C)cc2cn(C)nc12
InChIInChI=1S/C18H18FNO2S.C17H19NO.C15H23NO2S.C14H19NO.C14H21N.C13H17NO.C12H18N2O.2C12H16N2.C12H18O.C11H14N2.C11H13N.C9H16N2.C8H14N2/c1-18(2,3)17-12-13-6-4-5-7-16(13)20(17)23(21,22)15-10-8-14(19)9-11-15;1-13(2)17(19)18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-12(2)10-11-13-8-6-7-9-14(13)19(17,18)16-15(3,4)5;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-8(2)10-5-9(3)12-11(6-10)7-14(4)13-12;1-8(2)10-5-6-12-11(9(10)3)7-14(4)13-12;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-10-11(6-9)8(3)4;1-4-10-6-8(5-9-10)7(2)3/h4-12H,1-3H3;3-13,16H,1-2H3,(H,18,19);6-12,16H,1-5H3;4-6,9,12H,7-8H2,1-3H3,(H,15,16);6-9,12H,3-5,10-11H2,1-2H3;4-10H,1-3H3,(H,14,15);5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);2*5-8H,1-4H3;5-8H,9H2,1-4H3;4-8H,1-3H3;3-8,12H,1-2H3;5-8H,1-4H3;5-7H,4H2,1-3H3/b;;;;;9-8+;;;;;;;;
InChIKeyISUWFDBWJVRJOH-LLCYZPSCSA-N
XLogP43.61
TPSA338.04 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002875.15
LogP ≤ 543.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine?
The IUPAC name of N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine (CID 158795512) is N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine?
The canonical SMILES for N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine is CC(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)c1ccc(F)cc1.CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)C(=O)NC(c1ccccc1)c1ccccc1.CC(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1cnc(N)c(OCC2CC2)c1.CC(C)c1cnn(C(C)C)c1.CCn1cc(C(C)C)cn1.COCc1ccc(C(C)(C)C)cc1.Cc1c(C(C)C)ccc2nn(C)cc12.Cc1cc(C(C)C)cc2cn(C)nc12.
What is the InChIKey of N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine?
The InChIKey is ISUWFDBWJVRJOH-LLCYZPSCSA-N. The full InChI is InChI=1S/C18H18FNO2S.C17H19NO.C15H23NO2S.C14H19NO.C14H21N.C13H17NO.C12H18N2O.2C12H16N2.C12H18O.C11H14N2.C11H13N.C9H16N2.C8H14N2/c1-18(2,3)17-12-13-6-4-5-7-16(13)20(17)23(21,22)15-10-8-14(19)9-11-15;1-13(2)17(19)18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-12(2)10-11-13-8-6-7-9-14(13)19(17,18)16-15(3,4)5;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-8(2)10-5-9(3)12-11(6-10)7-14(4)13-12;1-8(2)10-5-6-12-11(9(10)3)7-14(4)13-12;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-10-11(6-9)8(3)4;1-4-10-6-8(5-9-10)7(2)3/h4-12H,1-3H3;3-13,16H,1-2H3,(H,18,19);6-12,16H,1-5H3;4-6,9,12H,7-8H2,1-3H3,(H,15,16);6-9,12H,3-5,10-11H2,1-2H3;4-10H,1-3H3,(H,14,15);5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);2*5-8H,1-4H3;5-8H,9H2,1-4H3;4-8H,1-3H3;3-8,12H,1-2H3;5-8H,1-4H3;5-7H,4H2,1-3H3/b;;;;;9-8+;;;;;;;;.
What are the key properties of N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine?
N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine has a molecular weight of 2875.15 g/mol, XLogP of 43.61, 31 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 158795512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).