N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate

C162H173F3N12O28S3 — CID 157316535

IUPACN-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate
SMILESCN(C)C(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.COCCNSc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S(N)(=O)=O)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)NCCC(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(CN)c1.O.O.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H32N2O5S.C30H32N2O4.C27H23F3N2O4.C26H26N2O4S.C25H24N2O3.C24H22N2O6S.2H2O.5H2/c1-20-7-11-24(31-29(33)30(15-16-30)22-10-14-27-28(17-22)37-19-36-27)18-26(20)21-8-12-25(13-9-21)38(34,35)32-23-5-3-2-4-6-23;1-19(2)12-15-31-28(33)22-7-5-21(6-8-22)25-17-24(10-4-20(25)3)32-29(34)30(13-14-30)23-9-11-26-27(16-23)36-18-35-26;1-32(2)24(33)17-5-3-16(4-6-17)20-9-8-19(14-21(20)27(28,29)30)31-25(34)26(11-12-26)18-7-10-22-23(13-18)36-15-35-22;1-30-14-13-27-33-22-8-5-18(6-9-22)19-3-2-4-21(15-19)28-25(29)26(11-12-26)20-7-10-23-24(16-20)32-17-31-23;1-16-5-7-20(13-21(16)18-4-2-3-17(11-18)14-26)27-24(28)25(9-10-25)19-6-8-22-23(12-19)30-15-29-22;1-30-20-8-6-17(13-19(20)15-3-2-4-18(11-15)33(25,28)29)26-23(27)24(9-10-24)16-5-7-21-22(12-16)32-14-31-21;;;;;;;/h7-14,17-18,23,32H,2-6,15-16,19H2,1H3,(H,31,33);4-11,16-17,19H,12-15,18H2,1-3H3,(H,31,33)(H,32,34);3-10,13-14H,11-12,15H2,1-2H3,(H,31,34);2-10,15-16,27H,11-14,17H2,1H3,(H,28,29);2-8,11-13H,9-10,14-15,26H2,1H3,(H,27,28);2-8,11-13H,9-10,14H2,1H3,(H,26,27)(H2,25,28,29);2*1H2;5*1H
InChIKeyLSBLJTXLSCMYJH-UHFFFAOYSA-N
MW2889.42 g/mol
LogP29.49
Rot. Bonds40

About N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate

N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate (PubChem CID 157316535) has the molecular formula C162H173F3N12O28S3 and a molecular weight of 2889.42 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate
PubChem CID157316535
Molecular FormulaC162H173F3N12O28S3
Molecular Weight2889.42 g/mol
Exact Mass2887.16
IUPAC NameN-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate
SMILESCN(C)C(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.COCCNSc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S(N)(=O)=O)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)NCCC(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(CN)c1.O.O.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H32N2O5S.C30H32N2O4.C27H23F3N2O4.C26H26N2O4S.C25H24N2O3.C24H22N2O6S.2H2O.5H2/c1-20-7-11-24(31-29(33)30(15-16-30)22-10-14-27-28(17-22)37-19-36-27)18-26(20)21-8-12-25(13-9-21)38(34,35)32-23-5-3-2-4-6-23;1-19(2)12-15-31-28(33)22-7-5-21(6-8-22)25-17-24(10-4-20(25)3)32-29(34)30(13-14-30)23-9-11-26-27(16-23)36-18-35-26;1-32(2)24(33)17-5-3-16(4-6-17)20-9-8-19(14-21(20)27(28,29)30)31-25(34)26(11-12-26)18-7-10-22-23(13-18)36-15-35-22;1-30-14-13-27-33-22-8-5-18(6-9-22)19-3-2-4-21(15-19)28-25(29)26(11-12-26)20-7-10-23-24(16-20)32-17-31-23;1-16-5-7-20(13-21(16)18-4-2-3-17(11-18)14-26)27-24(28)25(9-10-25)19-6-8-22-23(12-19)30-15-29-22;1-30-20-8-6-17(13-19(20)15-3-2-4-18(11-15)33(25,28)29)26-23(27)24(9-10-24)16-5-7-21-22(12-16)32-14-31-21;;;;;;;/h7-14,17-18,23,32H,2-6,15-16,19H2,1H3,(H,31,33);4-11,16-17,19H,12-15,18H2,1-3H3,(H,31,33)(H,32,34);3-10,13-14H,11-12,15H2,1-2H3,(H,31,34);2-10,15-16,27H,11-14,17H2,1H3,(H,28,29);2-8,11-13H,9-10,14-15,26H2,1H3,(H,27,28);2-8,11-13H,9-10,14H2,1H3,(H,26,27)(H2,25,28,29);2*1H2;5*1H
InChIKeyLSBLJTXLSCMYJH-UHFFFAOYSA-N
XLogP29.49
TPSA560.61 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds40
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002889.42
LogP ≤ 529.49
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate?
The IUPAC name of N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate (CID 157316535) is N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate.
What is the SMILES notation for N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate?
The canonical SMILES for N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate is CN(C)C(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.COCCNSc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S(N)(=O)=O)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)NCCC(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(CN)c1.O.O.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate?
The InChIKey is LSBLJTXLSCMYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5S.C30H32N2O4.C27H23F3N2O4.C26H26N2O4S.C25H24N2O3.C24H22N2O6S.2H2O.5H2/c1-20-7-11-24(31-29(33)30(15-16-30)22-10-14-27-28(17-22)37-19-36-27)18-26(20)21-8-12-25(13-9-21)38(34,35)32-23-5-3-2-4-6-23;1-19(2)12-15-31-28(33)22-7-5-21(6-8-22)25-17-24(10-4-20(25)3)32-29(34)30(13-14-30)23-9-11-26-27(16-23)36-18-35-26;1-32(2)24(33)17-5-3-16(4-6-17)20-9-8-19(14-21(20)27(28,29)30)31-25(34)26(11-12-26)18-7-10-22-23(13-18)36-15-35-22;1-30-14-13-27-33-22-8-5-18(6-9-22)19-3-2-4-21(15-19)28-25(29)26(11-12-26)20-7-10-23-24(16-20)32-17-31-23;1-16-5-7-20(13-21(16)18-4-2-3-17(11-18)14-26)27-24(28)25(9-10-25)19-6-8-22-23(12-19)30-15-29-22;1-30-20-8-6-17(13-19(20)15-3-2-4-18(11-15)33(25,28)29)26-23(27)24(9-10-24)16-5-7-21-22(12-16)32-14-31-21;;;;;;;/h7-14,17-18,23,32H,2-6,15-16,19H2,1H3,(H,31,33);4-11,16-17,19H,12-15,18H2,1-3H3,(H,31,33)(H,32,34);3-10,13-14H,11-12,15H2,1-2H3,(H,31,34);2-10,15-16,27H,11-14,17H2,1H3,(H,28,29);2-8,11-13H,9-10,14-15,26H2,1H3,(H,27,28);2-8,11-13H,9-10,14H2,1H3,(H,26,27)(H2,25,28,29);2*1H2;5*1H.
What are the key properties of N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate?
N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate has a molecular weight of 2889.42 g/mol, XLogP of 29.49, 40 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(cyclohexylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(3-methylbutyl)benzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-methoxyethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-(3-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate is sourced from PubChem (CID 157316535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).