N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid

C94H125F3N6O12S — CID 159699868

IUPACN-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid
SMILESCNC(CN1CCCC1)c1cccc(OC)c1.COc1cccc(C(CC2CCCC2)N(C)C(=O)Cc2ccc(F)cc2)c1.COc1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(C)cc2)c1.CS(=O)(=O)O.Cc1ccc(CC(=O)N(C)C(CC2CCCC2)c2cccc(O)c2)cc1.Cc1ccc(CC(=O)O)cc1.FCF
InChIInChI=1S/C23H28FNO2.C23H30N2O2.C23H29NO2.C14H22N2O.C9H10O2.CH2F2.CH4O3S/c1-25(23(26)15-18-10-12-20(24)13-11-18)22(14-17-6-3-4-7-17)19-8-5-9-21(16-19)27-2;1-18-9-11-19(12-10-18)15-23(26)24(2)22(17-25-13-4-5-14-25)20-7-6-8-21(16-20)27-3;1-17-10-12-19(13-11-17)15-23(26)24(2)22(14-18-6-3-4-7-18)20-8-5-9-21(25)16-20;1-15-14(11-16-8-3-4-9-16)12-6-5-7-13(10-12)17-2;1-7-2-4-8(5-3-7)6-9(10)11;2-1-3;1-5(2,3)4/h5,8-13,16-17,22H,3-4,6-7,14-15H2,1-2H3;6-12,16,22H,4-5,13-15,17H2,1-3H3;5,8-13,16,18,22,25H,3-4,6-7,14-15H2,1-2H3;5-7,10,14-15H,3-4,8-9,11H2,1-2H3;2-5H,6H2,1H3,(H,10,11);1H2;1H3,(H,2,3,4)
InChIKeyOJYRDGMDVQGMGT-UHFFFAOYSA-N
MW1620.12 g/mol
LogP18.08
Rot. Bonds27

About N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid

N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid (PubChem CID 159699868) has the molecular formula C94H125F3N6O12S and a molecular weight of 1620.12 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid
PubChem CID159699868
Molecular FormulaC94H125F3N6O12S
Molecular Weight1620.12 g/mol
Exact Mass1618.90
IUPAC NameN-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid
SMILESCNC(CN1CCCC1)c1cccc(OC)c1.COc1cccc(C(CC2CCCC2)N(C)C(=O)Cc2ccc(F)cc2)c1.COc1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(C)cc2)c1.CS(=O)(=O)O.Cc1ccc(CC(=O)N(C)C(CC2CCCC2)c2cccc(O)c2)cc1.Cc1ccc(CC(=O)O)cc1.FCF
InChIInChI=1S/C23H28FNO2.C23H30N2O2.C23H29NO2.C14H22N2O.C9H10O2.CH2F2.CH4O3S/c1-25(23(26)15-18-10-12-20(24)13-11-18)22(14-17-6-3-4-7-17)19-8-5-9-21(16-19)27-2;1-18-9-11-19(12-10-18)15-23(26)24(2)22(17-25-13-4-5-14-25)20-7-6-8-21(16-20)27-3;1-17-10-12-19(13-11-17)15-23(26)24(2)22(14-18-6-3-4-7-18)20-8-5-9-21(25)16-20;1-15-14(11-16-8-3-4-9-16)12-6-5-7-13(10-12)17-2;1-7-2-4-8(5-3-7)6-9(10)11;2-1-3;1-5(2,3)4/h5,8-13,16-17,22H,3-4,6-7,14-15H2,1-2H3;6-12,16,22H,4-5,13-15,17H2,1-3H3;5,8-13,16,18,22,25H,3-4,6-7,14-15H2,1-2H3;5-7,10,14-15H,3-4,8-9,11H2,1-2H3;2-5H,6H2,1H3,(H,10,11);1H2;1H3,(H,2,3,4)
InChIKeyOJYRDGMDVQGMGT-UHFFFAOYSA-N
XLogP18.08
TPSA219.03 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001620.12
LogP ≤ 518.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid?
The IUPAC name of N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid (CID 159699868) is N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid.
What is the SMILES notation for N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid?
The canonical SMILES for N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid is CNC(CN1CCCC1)c1cccc(OC)c1.COc1cccc(C(CC2CCCC2)N(C)C(=O)Cc2ccc(F)cc2)c1.COc1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(C)cc2)c1.CS(=O)(=O)O.Cc1ccc(CC(=O)N(C)C(CC2CCCC2)c2cccc(O)c2)cc1.Cc1ccc(CC(=O)O)cc1.FCF.
What is the InChIKey of N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid?
The InChIKey is OJYRDGMDVQGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2.C23H30N2O2.C23H29NO2.C14H22N2O.C9H10O2.CH2F2.CH4O3S/c1-25(23(26)15-18-10-12-20(24)13-11-18)22(14-17-6-3-4-7-17)19-8-5-9-21(16-19)27-2;1-18-9-11-19(12-10-18)15-23(26)24(2)22(17-25-13-4-5-14-25)20-7-6-8-21(16-20)27-3;1-17-10-12-19(13-11-17)15-23(26)24(2)22(14-18-6-3-4-7-18)20-8-5-9-21(25)16-20;1-15-14(11-16-8-3-4-9-16)12-6-5-7-13(10-12)17-2;1-7-2-4-8(5-3-7)6-9(10)11;2-1-3;1-5(2,3)4/h5,8-13,16-17,22H,3-4,6-7,14-15H2,1-2H3;6-12,16,22H,4-5,13-15,17H2,1-3H3;5,8-13,16,18,22,25H,3-4,6-7,14-15H2,1-2H3;5-7,10,14-15H,3-4,8-9,11H2,1-2H3;2-5H,6H2,1H3,(H,10,11);1H2;1H3,(H,2,3,4).
What are the key properties of N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid?
N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid has a molecular weight of 1620.12 g/mol, XLogP of 18.08, 27 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 159699868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).