3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline

C154H164F3N7O20 — CID 160740201

IUPAC3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline
SMILESCOC(=O)COc1cccc(Nc2ccc(OCc3ccccc3)cc2C)c1.Cc1cc(OCc2ccccc2)ccc1N(CCC(=O)O)c1cccc(OCCCC2CCCCC2)c1.Cc1cc(OCc2ccccc2)ccc1Nc1cccc(OC(F)(F)F)c1.Cc1cc(OCc2ccccc2)ccc1Nc1cccc(OCC(=O)O)c1.Cc1cc(OCc2ccccc2)ccc1Nc1cccc(OCCCCC(=O)O)c1.O=C(CCC1CCCCC1)Nc1ccccc1Nc1ccc(OCc2ccccc2)cc1C1CC1
InChIInChI=1S/C32H39NO4.C31H36N2O2.C25H27NO4.C23H23NO4.C22H21NO4.C21H18F3NO2/c1-25-22-30(37-24-27-12-6-3-7-13-27)17-18-31(25)33(20-19-32(34)35)28-15-8-16-29(23-28)36-21-9-14-26-10-4-2-5-11-26;34-31(20-15-23-9-3-1-4-10-23)33-30-14-8-7-13-29(30)32-28-19-18-26(21-27(28)25-16-17-25)35-22-24-11-5-2-6-12-24;1-19-16-23(30-18-20-8-3-2-4-9-20)13-14-24(19)26-21-10-7-11-22(17-21)29-15-6-5-12-25(27)28;1-17-13-21(27-15-18-7-4-3-5-8-18)11-12-22(17)24-19-9-6-10-20(14-19)28-16-23(25)26-2;1-16-12-20(26-14-17-6-3-2-4-7-17)10-11-21(16)23-18-8-5-9-19(13-18)27-15-22(24)25;1-15-12-18(26-14-16-6-3-2-4-7-16)10-11-20(15)25-17-8-5-9-19(13-17)27-21(22,23)24/h3,6-8,12-13,15-18,22-23,26H,2,4-5,9-11,14,19-21,24H2,1H3,(H,34,35);2,5-8,11-14,18-19,21,23,25,32H,1,3-4,9-10,15-17,20,22H2,(H,33,34);2-4,7-11,13-14,16-17,26H,5-6,12,15,18H2,1H3,(H,27,28);3-14,24H,15-16H2,1-2H3;2-13,23H,14-15H2,1H3,(H,24,25);2-13,25H,14H2,1H3
InChIKeyRVLYWIKXNQJAPJ-UHFFFAOYSA-N
MW2490.03 g/mol
LogP37.93
Rot. Bonds56

About 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline

3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline (PubChem CID 160740201) has the molecular formula C154H164F3N7O20 and a molecular weight of 2490.03 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline
PubChem CID160740201
Molecular FormulaC154H164F3N7O20
Molecular Weight2490.03 g/mol
Exact Mass2488.20
IUPAC Name3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline
SMILESCOC(=O)COc1cccc(Nc2ccc(OCc3ccccc3)cc2C)c1.Cc1cc(OCc2ccccc2)ccc1N(CCC(=O)O)c1cccc(OCCCC2CCCCC2)c1.Cc1cc(OCc2ccccc2)ccc1Nc1cccc(OC(F)(F)F)c1.Cc1cc(OCc2ccccc2)ccc1Nc1cccc(OCC(=O)O)c1.Cc1cc(OCc2ccccc2)ccc1Nc1cccc(OCCCCC(=O)O)c1.O=C(CCC1CCCCC1)Nc1ccccc1Nc1ccc(OCc2ccccc2)cc1C1CC1
InChIInChI=1S/C32H39NO4.C31H36N2O2.C25H27NO4.C23H23NO4.C22H21NO4.C21H18F3NO2/c1-25-22-30(37-24-27-12-6-3-7-13-27)17-18-31(25)33(20-19-32(34)35)28-15-8-16-29(23-28)36-21-9-14-26-10-4-2-5-11-26;34-31(20-15-23-9-3-1-4-10-23)33-30-14-8-7-13-29(30)32-28-19-18-26(21-27(28)25-16-17-25)35-22-24-11-5-2-6-12-24;1-19-16-23(30-18-20-8-3-2-4-9-20)13-14-24(19)26-21-10-7-11-22(17-21)29-15-6-5-12-25(27)28;1-17-13-21(27-15-18-7-4-3-5-8-18)11-12-22(17)24-19-9-6-10-20(14-19)28-16-23(25)26-2;1-16-12-20(26-14-17-6-3-2-4-7-17)10-11-21(16)23-18-8-5-9-19(13-18)27-15-22(24)25;1-15-12-18(26-14-16-6-3-2-4-7-16)10-11-20(15)25-17-8-5-9-19(13-17)27-21(22,23)24/h3,6-8,12-13,15-18,22-23,26H,2,4-5,9-11,14,19-21,24H2,1H3,(H,34,35);2,5-8,11-14,18-19,21,23,25,32H,1,3-4,9-10,15-17,20,22H2,(H,33,34);2-4,7-11,13-14,16-17,26H,5-6,12,15,18H2,1H3,(H,27,28);3-14,24H,15-16H2,1-2H3;2-13,23H,14-15H2,1H3,(H,24,25);2-13,25H,14H2,1H3
InChIKeyRVLYWIKXNQJAPJ-UHFFFAOYSA-N
XLogP37.93
TPSA332.22 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds56
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002490.03
LogP ≤ 537.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline with MolForge

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Related Compounds

3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid
CID 146295940
3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295880
N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline
CID 146295836
3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295943
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
2-[3-methyl-4-[3-(oxan-4-yl)propanoylamino]phenoxy]acetic acid
CID 119231891
N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
CID 146295815
N-[3-(3-cyclohexylpropylsulfonyl)phenyl]-4-phenylmethoxy-2-(trifluoromethyl)aniline
CID 157327969
2-[4-[3-[acetyl(benzyl)amino]propanoylamino]-3-methylphenoxy]acetic acid
CID 119231417
3-cyclohexyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]propanamide
CID 17123697
methyl 2-[4-[(2-anilino-2-oxoethyl)amino]-3-methylphenoxy]acetate
CID 60538614
3-[2-[3-(3-cyclohexylpropoxy)phenyl]ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121329

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline (CID 160740201) is 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline is COC(=O)COc1cccc(Nc2ccc(OCc3ccccc3)cc2C)c1.Cc1cc(OCc2ccccc2)ccc1N(CCC(=O)O)c1cccc(OCCCC2CCCCC2)c1.Cc1cc(OCc2ccccc2)ccc1Nc1cccc(OC(F)(F)F)c1.Cc1cc(OCc2ccccc2)ccc1Nc1cccc(OCC(=O)O)c1.Cc1cc(OCc2ccccc2)ccc1Nc1cccc(OCCCCC(=O)O)c1.O=C(CCC1CCCCC1)Nc1ccccc1Nc1ccc(OCc2ccccc2)cc1C1CC1.
What is the InChIKey of 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline?
The InChIKey is RVLYWIKXNQJAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO4.C31H36N2O2.C25H27NO4.C23H23NO4.C22H21NO4.C21H18F3NO2/c1-25-22-30(37-24-27-12-6-3-7-13-27)17-18-31(25)33(20-19-32(34)35)28-15-8-16-29(23-28)36-21-9-14-26-10-4-2-5-11-26;34-31(20-15-23-9-3-1-4-10-23)33-30-14-8-7-13-29(30)32-28-19-18-26(21-27(28)25-16-17-25)35-22-24-11-5-2-6-12-24;1-19-16-23(30-18-20-8-3-2-4-9-20)13-14-24(19)26-21-10-7-11-22(17-21)29-15-6-5-12-25(27)28;1-17-13-21(27-15-18-7-4-3-5-8-18)11-12-22(17)24-19-9-6-10-20(14-19)28-16-23(25)26-2;1-16-12-20(26-14-17-6-3-2-4-7-17)10-11-21(16)23-18-8-5-9-19(13-18)27-15-22(24)25;1-15-12-18(26-14-16-6-3-2-4-7-16)10-11-20(15)25-17-8-5-9-19(13-17)27-21(22,23)24/h3,6-8,12-13,15-18,22-23,26H,2,4-5,9-11,14,19-21,24H2,1H3,(H,34,35);2,5-8,11-14,18-19,21,23,25,32H,1,3-4,9-10,15-17,20,22H2,(H,33,34);2-4,7-11,13-14,16-17,26H,5-6,12,15,18H2,1H3,(H,27,28);3-14,24H,15-16H2,1-2H3;2-13,23H,14-15H2,1H3,(H,24,25);2-13,25H,14H2,1H3.
What are the key properties of 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline?
3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline has a molecular weight of 2490.03 g/mol, XLogP of 37.93, 56 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 160740201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).