[2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide

C148H173F5N14O20 — CID 159755502

IUPAC[2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(-c2cnccc2COC(=O)[C@@H](N)C(C)C)cc1C(=O)NCc1ccc(CO)c(F)c1.Cc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC(C)C)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OC2CCCC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OC2CCCCC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OCC(C)C)cc1F
InChIInChI=1S/C32H38FN3O4.C31H36FN3O4.C30H36FN3O5.C30H36FN3O4.C25H27FN2O3/c1-20(2)29(34)32(38)39-19-24-8-7-15-35-30(24)23-13-14-28(40-25-9-5-4-6-10-25)26(17-23)31(37)36-18-22-12-11-21(3)27(33)16-22;1-19(2)28(33)31(37)38-18-23-7-6-14-34-29(23)22-12-13-27(39-24-8-4-5-9-24)25(16-22)30(36)35-17-21-11-10-20(3)26(32)15-21;1-18(2)16-38-27-8-7-21(25-14-33-10-9-23(25)17-39-30(37)28(32)19(3)4)12-24(27)29(36)34-13-20-5-6-22(15-35)26(31)11-20;1-18(2)16-37-26-11-10-22(14-24(26)29(35)34-15-21-9-8-20(5)25(31)13-21)28-23(7-6-12-33-28)17-38-30(36)27(32)19(3)4;1-16(2)15-31-23-9-8-19(24-20(14-29)5-4-10-27-24)12-21(23)25(30)28-13-18-7-6-17(3)22(26)11-18/h7-8,11-17,20,25,29H,4-6,9-10,18-19,34H2,1-3H3,(H,36,37);6-7,10-16,19,24,28H,4-5,8-9,17-18,33H2,1-3H3,(H,35,36);5-12,14,18-19,28,35H,13,15-17,32H2,1-4H3,(H,34,36);6-14,18-19,27H,15-17,32H2,1-5H3,(H,34,35);4-12,16,29H,13-15H2,1-3H3,(H,28,30)/t29-;2*28-;27-;/m0000./s1
InChIKeyNEEYXGSLPUFPCY-DDGIBTMHSA-N
MW2563.08 g/mol
LogP25.55
Rot. Bonds51

About [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide

[2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide (PubChem CID 159755502) has the molecular formula C148H173F5N14O20 and a molecular weight of 2563.08 g/mol. Its IUPAC name is [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name[2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide
PubChem CID159755502
Molecular FormulaC148H173F5N14O20
Molecular Weight2563.08 g/mol
Exact Mass2561.29
IUPAC Name[2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(-c2cnccc2COC(=O)[C@@H](N)C(C)C)cc1C(=O)NCc1ccc(CO)c(F)c1.Cc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC(C)C)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OC2CCCC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OC2CCCCC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OCC(C)C)cc1F
InChIInChI=1S/C32H38FN3O4.C31H36FN3O4.C30H36FN3O5.C30H36FN3O4.C25H27FN2O3/c1-20(2)29(34)32(38)39-19-24-8-7-15-35-30(24)23-13-14-28(40-25-9-5-4-6-10-25)26(17-23)31(37)36-18-22-12-11-21(3)27(33)16-22;1-19(2)28(33)31(37)38-18-23-7-6-14-34-29(23)22-12-13-27(39-24-8-4-5-9-24)25(16-22)30(36)35-17-21-11-10-20(3)26(32)15-21;1-18(2)16-38-27-8-7-21(25-14-33-10-9-23(25)17-39-30(37)28(32)19(3)4)12-24(27)29(36)34-13-20-5-6-22(15-35)26(31)11-20;1-18(2)16-37-26-11-10-22(14-24(26)29(35)34-15-21-9-8-20(5)25(31)13-21)28-23(7-6-12-33-28)17-38-30(36)27(32)19(3)4;1-16(2)15-31-23-9-8-19(24-20(14-29)5-4-10-27-24)12-21(23)25(30)28-13-18-7-6-17(3)22(26)11-18/h7-8,11-17,20,25,29H,4-6,9-10,18-19,34H2,1-3H3,(H,36,37);6-7,10-16,19,24,28H,4-5,8-9,17-18,33H2,1-3H3,(H,35,36);5-12,14,18-19,28,35H,13,15-17,32H2,1-4H3,(H,34,36);6-14,18-19,27H,15-17,32H2,1-5H3,(H,34,35);4-12,16,29H,13-15H2,1-3H3,(H,28,30)/t29-;2*28-;27-;/m0000./s1
InChIKeyNEEYXGSLPUFPCY-DDGIBTMHSA-N
XLogP25.55
TPSA505.84 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds51
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002563.08
LogP ≤ 525.55
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide with MolForge

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Related Compounds

3-[[4-[(4-Tert-butylphenyl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]benzoyl]amino]propanoic acid;methyl 3-[[4-[(4-tert-butylphenyl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]benzoyl]amino]propanoate
CID 87417609
Tert-butyl 3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoate;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoic acid
CID 87417688
[2-[4-cyclohexyloxy-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
CID 118336009
[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
CID 118336011
[2-[4-Cyclohexyloxy-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl 2-amino-3-methylbutanoate
CID 123750912
[2-[4-Cyclopentyloxy-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl 2-amino-3-methylbutanoate
CID 123761934
[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2R)-2-amino-3-methylbutanoate
CID 126629421
[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
CID 126629423
[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
CID 126629427
[2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
CID 126629428
[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
CID 126629457
[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-4-cycloprop-2-en-1-yl-3-methylbutanoate
CID 126647346

Frequently Asked Questions

What is the IUPAC name of [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide (CID 159755502) is [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide is CC(C)COc1ccc(-c2cnccc2COC(=O)[C@@H](N)C(C)C)cc1C(=O)NCc1ccc(CO)c(F)c1.Cc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC(C)C)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OC2CCCC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OC2CCCCC2)cc1F.Cc1ccc(CNC(=O)c2cc(-c3ncccc3COC(=O)[C@@H](N)C(C)C)ccc2OCC(C)C)cc1F.
What is the InChIKey of [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is NEEYXGSLPUFPCY-DDGIBTMHSA-N. The full InChI is InChI=1S/C32H38FN3O4.C31H36FN3O4.C30H36FN3O5.C30H36FN3O4.C25H27FN2O3/c1-20(2)29(34)32(38)39-19-24-8-7-15-35-30(24)23-13-14-28(40-25-9-5-4-6-10-25)26(17-23)31(37)36-18-22-12-11-21(3)27(33)16-22;1-19(2)28(33)31(37)38-18-23-7-6-14-34-29(23)22-12-13-27(39-24-8-4-5-9-24)25(16-22)30(36)35-17-21-11-10-20(3)26(32)15-21;1-18(2)16-38-27-8-7-21(25-14-33-10-9-23(25)17-39-30(37)28(32)19(3)4)12-24(27)29(36)34-13-20-5-6-22(15-35)26(31)11-20;1-18(2)16-37-26-11-10-22(14-24(26)29(35)34-15-21-9-8-20(5)25(31)13-21)28-23(7-6-12-33-28)17-38-30(36)27(32)19(3)4;1-16(2)15-31-23-9-8-19(24-20(14-29)5-4-10-27-24)12-21(23)25(30)28-13-18-7-6-17(3)22(26)11-18/h7-8,11-17,20,25,29H,4-6,9-10,18-19,34H2,1-3H3,(H,36,37);6-7,10-16,19,24,28H,4-5,8-9,17-18,33H2,1-3H3,(H,35,36);5-12,14,18-19,28,35H,13,15-17,32H2,1-4H3,(H,34,36);6-14,18-19,27H,15-17,32H2,1-5H3,(H,34,35);4-12,16,29H,13-15H2,1-3H3,(H,28,30)/t29-;2*28-;27-;/m0000./s1.
What are the key properties of [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide?
[2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 2563.08 g/mol, XLogP of 25.55, 51 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-cyclohexyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[4-cyclopentyloxy-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[3-[3-[[3-fluoro-4-(hydroxymethyl)phenyl]methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-4-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;[2-[3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate;N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 159755502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).