N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide

C118H139F5N6O16S4 — CID 160535138

IUPACN-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide
SMILESCCC(=O)N(O)c1c(CC)cccc1COc1ccc(C)cc1C.CCC(=O)N(O)c1c(COc2ccc(C)cc2C)cccc1C1CC1.CCC(=S)N(O)c1c(COc2ccc(C)cc2C)cccc1C(F)(F)F.CCC(=S)N(O)c1c(COc2ccc(C)cc2C)cccc1C(F)F.CCC(=S)N(O)c1c(COc2ccc(C)cc2C)cccc1OC.CCOc1cccc(COc2ccc(C)cc2C)c1N(O)C(=S)CC
InChIInChI=1S/C21H25NO3.C20H25NO3S.C20H25NO3.C19H20F3NO2S.C19H21F2NO2S.C19H23NO3S/c1-4-20(23)22(24)21-17(6-5-7-18(21)16-9-10-16)13-25-19-11-8-14(2)12-15(19)3;1-5-19(25)21(22)20-16(8-7-9-18(20)23-6-2)13-24-17-11-10-14(3)12-15(17)4;1-5-16-8-7-9-17(20(16)21(23)19(22)6-2)13-24-18-11-10-14(3)12-15(18)4;1-4-17(26)23(24)18-14(6-5-7-15(18)19(20,21)22)11-25-16-9-8-12(2)10-13(16)3;1-4-17(25)22(23)18-14(6-5-7-15(18)19(20)21)11-24-16-9-8-12(2)10-13(16)3;1-5-18(24)20(21)19-15(7-6-8-17(19)22-4)12-23-16-10-9-13(2)11-14(16)3/h5-8,11-12,16,24H,4,9-10,13H2,1-3H3;7-12,22H,5-6,13H2,1-4H3;7-12,23H,5-6,13H2,1-4H3;5-10,24H,4,11H2,1-3H3;5-10,19,23H,4,11H2,1-3H3;6-11,21H,5,12H2,1-4H3
InChIKeyQWBAVEYHFBFODW-UHFFFAOYSA-N
MW2120.69 g/mol
LogP31.09
Rot. Bonds36

About N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide

N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide (PubChem CID 160535138) has the molecular formula C118H139F5N6O16S4 and a molecular weight of 2120.69 g/mol. Its IUPAC name is N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide
PubChem CID160535138
Molecular FormulaC118H139F5N6O16S4
Molecular Weight2120.69 g/mol
Exact Mass2118.91
IUPAC NameN-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide
SMILESCCC(=O)N(O)c1c(CC)cccc1COc1ccc(C)cc1C.CCC(=O)N(O)c1c(COc2ccc(C)cc2C)cccc1C1CC1.CCC(=S)N(O)c1c(COc2ccc(C)cc2C)cccc1C(F)(F)F.CCC(=S)N(O)c1c(COc2ccc(C)cc2C)cccc1C(F)F.CCC(=S)N(O)c1c(COc2ccc(C)cc2C)cccc1OC.CCOc1cccc(COc2ccc(C)cc2C)c1N(O)C(=S)CC
InChIInChI=1S/C21H25NO3.C20H25NO3S.C20H25NO3.C19H20F3NO2S.C19H21F2NO2S.C19H23NO3S/c1-4-20(23)22(24)21-17(6-5-7-18(21)16-9-10-16)13-25-19-11-8-14(2)12-15(19)3;1-5-19(25)21(22)20-16(8-7-9-18(20)23-6-2)13-24-17-11-10-14(3)12-15(17)4;1-5-16-8-7-9-17(20(16)21(23)19(22)6-2)13-24-18-11-10-14(3)12-15(18)4;1-4-17(26)23(24)18-14(6-5-7-15(18)19(20,21)22)11-25-16-9-8-12(2)10-13(16)3;1-4-17(25)22(23)18-14(6-5-7-15(18)19(20)21)11-24-16-9-8-12(2)10-13(16)3;1-5-18(24)20(21)19-15(7-6-8-17(19)22-4)12-23-16-10-9-13(2)11-14(16)3/h5-8,11-12,16,24H,4,9-10,13H2,1-3H3;7-12,22H,5-6,13H2,1-4H3;7-12,23H,5-6,13H2,1-4H3;5-10,24H,4,11H2,1-3H3;5-10,19,23H,4,11H2,1-3H3;6-11,21H,5,12H2,1-4H3
InChIKeyQWBAVEYHFBFODW-UHFFFAOYSA-N
XLogP31.09
TPSA248.80 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms149
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002120.69
LogP ≤ 531.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide?
The IUPAC name of N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide (CID 160535138) is N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide.
What is the SMILES notation for N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide?
The canonical SMILES for N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide is CCC(=O)N(O)c1c(CC)cccc1COc1ccc(C)cc1C.CCC(=O)N(O)c1c(COc2ccc(C)cc2C)cccc1C1CC1.CCC(=S)N(O)c1c(COc2ccc(C)cc2C)cccc1C(F)(F)F.CCC(=S)N(O)c1c(COc2ccc(C)cc2C)cccc1C(F)F.CCC(=S)N(O)c1c(COc2ccc(C)cc2C)cccc1OC.CCOc1cccc(COc2ccc(C)cc2C)c1N(O)C(=S)CC.
What is the InChIKey of N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide?
The InChIKey is QWBAVEYHFBFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3.C20H25NO3S.C20H25NO3.C19H20F3NO2S.C19H21F2NO2S.C19H23NO3S/c1-4-20(23)22(24)21-17(6-5-7-18(21)16-9-10-16)13-25-19-11-8-14(2)12-15(19)3;1-5-19(25)21(22)20-16(8-7-9-18(20)23-6-2)13-24-17-11-10-14(3)12-15(17)4;1-5-16-8-7-9-17(20(16)21(23)19(22)6-2)13-24-18-11-10-14(3)12-15(18)4;1-4-17(26)23(24)18-14(6-5-7-15(18)19(20,21)22)11-25-16-9-8-12(2)10-13(16)3;1-4-17(25)22(23)18-14(6-5-7-15(18)19(20)21)11-24-16-9-8-12(2)10-13(16)3;1-5-18(24)20(21)19-15(7-6-8-17(19)22-4)12-23-16-10-9-13(2)11-14(16)3/h5-8,11-12,16,24H,4,9-10,13H2,1-3H3;7-12,22H,5-6,13H2,1-4H3;7-12,23H,5-6,13H2,1-4H3;5-10,24H,4,11H2,1-3H3;5-10,19,23H,4,11H2,1-3H3;6-11,21H,5,12H2,1-4H3.
What are the key properties of N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide?
N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide has a molecular weight of 2120.69 g/mol, XLogP of 31.09, 36 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide is sourced from PubChem (CID 160535138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).