5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide

C173H194F4N14O12S — CID 161460502

IUPAC5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide
SMILESC1=C(c2cc(OCc3ccccc3)ccc2Nc2cccc(OCCCC3CCCCC3)c2)CCOC1.NC(=O)c1cc(Nc2ccc(OCc3ccccc3)cc2C(F)(F)F)ccc1F.c1ccc(COc2ccc(Nc3cccc(-c4nnn(CC5CC5)n4)c3)c(C3CC3)c2)nc1.c1ccc(COc2ccc(Nc3cccc(OCCCC4CCCCC4)c3)c(C3CCOCC3)c2)cc1.c1ccc(COc2ccc(Nc3ccccc3SCCCC3CCCCC3)c(C3CC3)c2)cc1.c1ccc(COc2ccc(Nc3cncc(OCCCC4CCCCC4)c3)c(C3CC3)c2)nc1
InChIInChI=1S/C33H41NO3.C33H39NO3.C31H37NOS.C29H35N3O2.C26H26N6O.C21H16F4N2O2/c2*1-3-9-26(10-4-1)13-8-20-36-30-15-7-14-29(23-30)34-33-17-16-31(37-25-27-11-5-2-6-12-27)24-32(33)28-18-21-35-22-19-28;1-3-10-24(11-4-1)14-9-21-34-31-16-8-7-15-30(31)32-29-20-19-27(22-28(29)26-17-18-26)33-23-25-12-5-2-6-13-25;1-2-7-22(8-3-1)9-6-16-33-27-17-25(19-30-20-27)32-29-14-13-26(18-28(29)23-11-12-23)34-21-24-10-4-5-15-31-24;1-2-13-27-22(5-1)17-33-23-11-12-25(24(15-23)19-9-10-19)28-21-6-3-4-20(14-21)26-29-31-32(30-26)16-18-7-8-18;22-18-8-6-14(10-16(18)20(26)28)27-19-9-7-15(11-17(19)21(23,24)25)29-12-13-4-2-1-3-5-13/h2,5-7,11-12,14-17,23-24,26,28,34H,1,3-4,8-10,13,18-22,25H2;2,5-7,11-12,14-18,23-24,26,34H,1,3-4,8-10,13,19-22,25H2;2,5-8,12-13,15-16,19-20,22,24,26,32H,1,3-4,9-11,14,17-18,21,23H2;4-5,10,13-15,17-20,22-23,32H,1-3,6-9,11-12,16,21H2;1-6,11-15,18-19,28H,7-10,16-17H2;1-11,27H,12H2,(H2,26,28)
InChIKeyWBSVOUQUIIUPRD-UHFFFAOYSA-N
MW2769.60 g/mol
LogP44.56
Rot. Bonds59

About 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide

5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide (PubChem CID 161460502) has the molecular formula C173H194F4N14O12S and a molecular weight of 2769.60 g/mol. Its IUPAC name is 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound Name5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide
PubChem CID161460502
Molecular FormulaC173H194F4N14O12S
Molecular Weight2769.60 g/mol
Exact Mass2767.47
IUPAC Name5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide
SMILESC1=C(c2cc(OCc3ccccc3)ccc2Nc2cccc(OCCCC3CCCCC3)c2)CCOC1.NC(=O)c1cc(Nc2ccc(OCc3ccccc3)cc2C(F)(F)F)ccc1F.c1ccc(COc2ccc(Nc3cccc(-c4nnn(CC5CC5)n4)c3)c(C3CC3)c2)nc1.c1ccc(COc2ccc(Nc3cccc(OCCCC4CCCCC4)c3)c(C3CCOCC3)c2)cc1.c1ccc(COc2ccc(Nc3ccccc3SCCCC3CCCCC3)c(C3CC3)c2)cc1.c1ccc(COc2ccc(Nc3cncc(OCCCC4CCCCC4)c3)c(C3CC3)c2)nc1
InChIInChI=1S/C33H41NO3.C33H39NO3.C31H37NOS.C29H35N3O2.C26H26N6O.C21H16F4N2O2/c2*1-3-9-26(10-4-1)13-8-20-36-30-15-7-14-29(23-30)34-33-17-16-31(37-25-27-11-5-2-6-12-27)24-32(33)28-18-21-35-22-19-28;1-3-10-24(11-4-1)14-9-21-34-31-16-8-7-15-30(31)32-29-20-19-27(22-28(29)26-17-18-26)33-23-25-12-5-2-6-13-25;1-2-7-22(8-3-1)9-6-16-33-27-17-25(19-30-20-27)32-29-14-13-26(18-28(29)23-11-12-23)34-21-24-10-4-5-15-31-24;1-2-13-27-22(5-1)17-33-23-11-12-25(24(15-23)19-9-10-19)28-21-6-3-4-20(14-21)26-29-31-32(30-26)16-18-7-8-18;22-18-8-6-14(10-16(18)20(26)28)27-19-9-7-15(11-17(19)21(23,24)25)29-12-13-4-2-1-3-5-13/h2,5-7,11-12,14-17,23-24,26,28,34H,1,3-4,8-10,13,18-22,25H2;2,5-7,11-12,14-18,23-24,26,34H,1,3-4,8-10,13,19-22,25H2;2,5-8,12-13,15-16,19-20,22,24,26,32H,1,3-4,9-11,14,17-18,21,23H2;4-5,10,13-15,17-20,22-23,32H,1-3,6-9,11-12,16,21H2;1-6,11-15,18-19,28H,7-10,16-17H2;1-11,27H,12H2,(H2,26,28)
InChIKeyWBSVOUQUIIUPRD-UHFFFAOYSA-N
XLogP44.56
TPSA299.07 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds59
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002769.60
LogP ≤ 544.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide?
The IUPAC name of 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide (CID 161460502) is 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide is C1=C(c2cc(OCc3ccccc3)ccc2Nc2cccc(OCCCC3CCCCC3)c2)CCOC1.NC(=O)c1cc(Nc2ccc(OCc3ccccc3)cc2C(F)(F)F)ccc1F.c1ccc(COc2ccc(Nc3cccc(-c4nnn(CC5CC5)n4)c3)c(C3CC3)c2)nc1.c1ccc(COc2ccc(Nc3cccc(OCCCC4CCCCC4)c3)c(C3CCOCC3)c2)cc1.c1ccc(COc2ccc(Nc3ccccc3SCCCC3CCCCC3)c(C3CC3)c2)cc1.c1ccc(COc2ccc(Nc3cncc(OCCCC4CCCCC4)c3)c(C3CC3)c2)nc1.
What is the InChIKey of 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide?
The InChIKey is WBSVOUQUIIUPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41NO3.C33H39NO3.C31H37NOS.C29H35N3O2.C26H26N6O.C21H16F4N2O2/c2*1-3-9-26(10-4-1)13-8-20-36-30-15-7-14-29(23-30)34-33-17-16-31(37-25-27-11-5-2-6-12-27)24-32(33)28-18-21-35-22-19-28;1-3-10-24(11-4-1)14-9-21-34-31-16-8-7-15-30(31)32-29-20-19-27(22-28(29)26-17-18-26)33-23-25-12-5-2-6-13-25;1-2-7-22(8-3-1)9-6-16-33-27-17-25(19-30-20-27)32-29-14-13-26(18-28(29)23-11-12-23)34-21-24-10-4-5-15-31-24;1-2-13-27-22(5-1)17-33-23-11-12-25(24(15-23)19-9-10-19)28-21-6-3-4-20(14-21)26-29-31-32(30-26)16-18-7-8-18;22-18-8-6-14(10-16(18)20(26)28)27-19-9-7-15(11-17(19)21(23,24)25)29-12-13-4-2-1-3-5-13/h2,5-7,11-12,14-17,23-24,26,28,34H,1,3-4,8-10,13,18-22,25H2;2,5-7,11-12,14-18,23-24,26,34H,1,3-4,8-10,13,19-22,25H2;2,5-8,12-13,15-16,19-20,22,24,26,32H,1,3-4,9-11,14,17-18,21,23H2;4-5,10,13-15,17-20,22-23,32H,1-3,6-9,11-12,16,21H2;1-6,11-15,18-19,28H,7-10,16-17H2;1-11,27H,12H2,(H2,26,28).
What are the key properties of 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide?
5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide has a molecular weight of 2769.60 g/mol, XLogP of 44.56, 59 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexylpropoxy)-N-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)phenyl]pyridin-3-amine;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-4-phenylmethoxyaniline;N-[3-(3-cyclohexylpropoxy)phenyl]-2-(oxan-4-yl)-4-phenylmethoxyaniline;N-[2-(3-cyclohexylpropylsulfanyl)phenyl]-2-cyclopropyl-4-phenylmethoxyaniline;2-cyclopropyl-N-[3-[2-(cyclopropylmethyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline;2-fluoro-5-[4-phenylmethoxy-2-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 161460502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).