N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine

C132H199N11O5 — CID 159001695

IUPACN-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine
SMILESCC(C)Cc1cccc(-c2cccc(C(=O)N[C@H](CN(C)C)C3CCCCC3)c2)c1.CC(C)Cc1cccc(CN(CCN(C)C)Cc2ccccc2N2CCCCC2)c1.CCN(CC)CCN(Cc1cccc(CC(C)C)c1)CC1CCCCC1.COc1c(CC(C)C)cccc1-c1cccc(C(=O)N[C@@H](CN(C)C)C(C)C)c1.COc1c(CC(C)C)cccc1-c1cccc(C(=O)N[C@H](CC2CCCCC2)CN(C)C)c1
InChIInChI=1S/C29H42N2O2.C27H41N3.C27H38N2O.C25H36N2O2.C24H42N2/c1-21(2)17-24-14-10-16-27(28(24)33-5)23-13-9-15-25(19-23)29(32)30-26(20-31(3)4)18-22-11-7-6-8-12-22;1-23(2)19-24-11-10-12-25(20-24)21-29(18-17-28(3)4)22-26-13-6-7-14-27(26)30-15-8-5-9-16-30;1-20(2)16-21-10-8-13-23(17-21)24-14-9-15-25(18-24)27(30)28-26(19-29(3)4)22-11-6-5-7-12-22;1-17(2)14-20-11-9-13-22(24(20)29-7)19-10-8-12-21(15-19)25(28)26-23(18(3)4)16-27(5)6;1-5-25(6-2)15-16-26(19-22-11-8-7-9-12-22)20-24-14-10-13-23(18-24)17-21(3)4/h9-10,13-16,19,21-22,26H,6-8,11-12,17-18,20H2,1-5H3,(H,30,32);6-7,10-14,20,23H,5,8-9,15-19,21-22H2,1-4H3;8-10,13-15,17-18,20,22,26H,5-7,11-12,16,19H2,1-4H3,(H,28,30);8-13,15,17-18,23H,14,16H2,1-7H3,(H,26,28);10,13-14,18,21-22H,5-9,11-12,15-17,19-20H2,1-4H3/t26-;;26-;23-;/m1.10./s1
InChIKeyJRKJFEYTGVZWIJ-KVOZZPIXSA-N
MW2020.12 g/mol
LogP27.91
Rot. Bonds48

About N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine

N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine (PubChem CID 159001695) has the molecular formula C132H199N11O5 and a molecular weight of 2020.12 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine
PubChem CID159001695
Molecular FormulaC132H199N11O5
Molecular Weight2020.12 g/mol
Exact Mass2018.57
IUPAC NameN-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine
SMILESCC(C)Cc1cccc(-c2cccc(C(=O)N[C@H](CN(C)C)C3CCCCC3)c2)c1.CC(C)Cc1cccc(CN(CCN(C)C)Cc2ccccc2N2CCCCC2)c1.CCN(CC)CCN(Cc1cccc(CC(C)C)c1)CC1CCCCC1.COc1c(CC(C)C)cccc1-c1cccc(C(=O)N[C@@H](CN(C)C)C(C)C)c1.COc1c(CC(C)C)cccc1-c1cccc(C(=O)N[C@H](CC2CCCCC2)CN(C)C)c1
InChIInChI=1S/C29H42N2O2.C27H41N3.C27H38N2O.C25H36N2O2.C24H42N2/c1-21(2)17-24-14-10-16-27(28(24)33-5)23-13-9-15-25(19-23)29(32)30-26(20-31(3)4)18-22-11-7-6-8-12-22;1-23(2)19-24-11-10-12-25(20-24)21-29(18-17-28(3)4)22-26-13-6-7-14-27(26)30-15-8-5-9-16-30;1-20(2)16-21-10-8-13-23(17-21)24-14-9-15-25(18-24)27(30)28-26(19-29(3)4)22-11-6-5-7-12-22;1-17(2)14-20-11-9-13-22(24(20)29-7)19-10-8-12-21(15-19)25(28)26-23(18(3)4)16-27(5)6;1-5-25(6-2)15-16-26(19-22-11-8-7-9-12-22)20-24-14-10-13-23(18-24)17-21(3)4/h9-10,13-16,19,21-22,26H,6-8,11-12,17-18,20H2,1-5H3,(H,30,32);6-7,10-14,20,23H,5,8-9,15-19,21-22H2,1-4H3;8-10,13-15,17-18,20,22,26H,5-7,11-12,16,19H2,1-4H3,(H,28,30);8-13,15,17-18,23H,14,16H2,1-7H3,(H,26,28);10,13-14,18,21-22H,5-9,11-12,15-17,19-20H2,1-4H3/t26-;;26-;23-;/m1.10./s1
InChIKeyJRKJFEYTGVZWIJ-KVOZZPIXSA-N
XLogP27.91
TPSA131.68 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds48
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002020.12
LogP ≤ 527.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine (CID 159001695) is N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine is CC(C)Cc1cccc(-c2cccc(C(=O)N[C@H](CN(C)C)C3CCCCC3)c2)c1.CC(C)Cc1cccc(CN(CCN(C)C)Cc2ccccc2N2CCCCC2)c1.CCN(CC)CCN(Cc1cccc(CC(C)C)c1)CC1CCCCC1.COc1c(CC(C)C)cccc1-c1cccc(C(=O)N[C@@H](CN(C)C)C(C)C)c1.COc1c(CC(C)C)cccc1-c1cccc(C(=O)N[C@H](CC2CCCCC2)CN(C)C)c1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is JRKJFEYTGVZWIJ-KVOZZPIXSA-N. The full InChI is InChI=1S/C29H42N2O2.C27H41N3.C27H38N2O.C25H36N2O2.C24H42N2/c1-21(2)17-24-14-10-16-27(28(24)33-5)23-13-9-15-25(19-23)29(32)30-26(20-31(3)4)18-22-11-7-6-8-12-22;1-23(2)19-24-11-10-12-25(20-24)21-29(18-17-28(3)4)22-26-13-6-7-14-27(26)30-15-8-5-9-16-30;1-20(2)16-21-10-8-13-23(17-21)24-14-9-15-25(18-24)27(30)28-26(19-29(3)4)22-11-6-5-7-12-22;1-17(2)14-20-11-9-13-22(24(20)29-7)19-10-8-12-21(15-19)25(28)26-23(18(3)4)16-27(5)6;1-5-25(6-2)15-16-26(19-22-11-8-7-9-12-22)20-24-14-10-13-23(18-24)17-21(3)4/h9-10,13-16,19,21-22,26H,6-8,11-12,17-18,20H2,1-5H3,(H,30,32);6-7,10-14,20,23H,5,8-9,15-19,21-22H2,1-4H3;8-10,13-15,17-18,20,22,26H,5-7,11-12,16,19H2,1-4H3,(H,28,30);8-13,15,17-18,23H,14,16H2,1-7H3,(H,26,28);10,13-14,18,21-22H,5-9,11-12,15-17,19-20H2,1-4H3/t26-;;26-;23-;/m1.10./s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine?
N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 2020.12 g/mol, XLogP of 27.91, 48 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 159001695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).