6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid

C163H198N12O25 — CID 158092374

IUPAC6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
SMILES[2H]C(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2cccnc2)cc1.[2H]C([2H])(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(CCCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(CCCN1CCOCC1)C(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/3C33H40N2O5.2C32H39N3O5/c3*36-32(37)14-5-2-8-23-40-31-13-7-6-12-30(31)26-35(20-9-19-34-21-24-39-25-22-34)33(38)29-17-15-28(16-18-29)27-10-3-1-4-11-27;2*36-31(37)11-2-1-5-21-40-30-10-4-3-8-29(30)25-35(18-7-17-34-19-22-39-23-20-34)32(38)27-14-12-26(13-15-27)28-9-6-16-33-24-28/h3*1,3-4,6-7,10-13,15-18H,2,5,8-9,14,19-26H2,(H,36,37);2*3-4,6,8-10,12-16,24H,1-2,5,7,11,17-23,25H2,(H,36,37)/i26D2;20D2;20D;25D2;18D
InChIKeyFOGNAHLRQQIKQW-FWZBDXFDSA-N
MW2733.48 g/mol
LogP27.50
Rot. Bonds75

About 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid

6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (PubChem CID 158092374) has the molecular formula C163H198N12O25 and a molecular weight of 2733.48 g/mol. Its IUPAC name is 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.

Molecular Properties

Compound Name6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
PubChem CID158092374
Molecular FormulaC163H198N12O25
Molecular Weight2733.48 g/mol
Exact Mass2731.51
IUPAC Name6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
SMILES[2H]C(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2cccnc2)cc1.[2H]C([2H])(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(CCCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(CCCN1CCOCC1)C(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/3C33H40N2O5.2C32H39N3O5/c3*36-32(37)14-5-2-8-23-40-31-13-7-6-12-30(31)26-35(20-9-19-34-21-24-39-25-22-34)33(38)29-17-15-28(16-18-29)27-10-3-1-4-11-27;2*36-31(37)11-2-1-5-21-40-30-10-4-3-8-29(30)25-35(18-7-17-34-19-22-39-23-20-34)32(38)27-14-12-26(13-15-27)28-9-6-16-33-24-28/h3*1,3-4,6-7,10-13,15-18H,2,5,8-9,14,19-26H2,(H,36,37);2*3-4,6,8-10,12-16,24H,1-2,5,7,11,17-23,25H2,(H,36,37)/i26D2;20D2;20D;25D2;18D
InChIKeyFOGNAHLRQQIKQW-FWZBDXFDSA-N
XLogP27.50
TPSA422.33 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds75
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002733.48
LogP ≤ 527.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid with MolForge

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Related Compounds

(2R)-2-benzyl-3-[4-propoxy-3-[[(4-pyridin-3-ylbenzoyl)amino]methyl]phenyl]propanoic acid
CID 71584602
(2R)-2-benzyl-3-[4-propoxy-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]phenyl]propanoic acid
CID 71584603
6-[2-({cyclopropyl[4-(Pyridin-3-Yl)benzene-1-Carbonyl]amino}methyl)phenoxy]hexanoic Acid
CID 86281821
1-[4-[2-Methyl-5-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]ethanone
CID 162120383
Finsrkrk784pic
CID 139145027
Finsrkrk153pic
CID 139145028
Finishsrkrk154pic
CID 139145029
tetrakis(N,N-dimethylformamide);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);4-[[26,27,28-tris[(4-carboxyphenyl)methoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]benzoic acid
CID 139146468
Hexakis(4-methoxybenzoic acid);tris(4-(2-pyridin-4-ylethyl)pyridine)
CID 139147112
Nonakis(pyridine);bis(25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetracarboxylic acid)
CID 139161050
Tetrakis(pyridine);25,26,27,28-tetra(propan-2-yloxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetracarboxylic acid
CID 139205242
Tert-butyl 4-[[5-(6-fluoro-3-pyridinyl)-15-methyl-16-oxo-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-12-yl]methyl]-4-hydroxypiperidine-1-carboxylate
CID 110066217

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?
The IUPAC name of 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (CID 158092374) is 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.
What is the SMILES notation for 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?
The canonical SMILES for 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is [2H]C(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2cccnc2)cc1.[2H]C([2H])(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(CCCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(CCCN1CCOCC1)C(=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?
The InChIKey is FOGNAHLRQQIKQW-FWZBDXFDSA-N. The full InChI is InChI=1S/3C33H40N2O5.2C32H39N3O5/c3*36-32(37)14-5-2-8-23-40-31-13-7-6-12-30(31)26-35(20-9-19-34-21-24-39-25-22-34)33(38)29-17-15-28(16-18-29)27-10-3-1-4-11-27;2*36-31(37)11-2-1-5-21-40-30-10-4-3-8-29(30)25-35(18-7-17-34-19-22-39-23-20-34)32(38)27-14-12-26(13-15-27)28-9-6-16-33-24-28/h3*1,3-4,6-7,10-13,15-18H,2,5,8-9,14,19-26H2,(H,36,37);2*3-4,6,8-10,12-16,24H,1-2,5,7,11,17-23,25H2,(H,36,37)/i26D2;20D2;20D;25D2;18D.
What are the key properties of 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?
6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid has a molecular weight of 2733.48 g/mol, XLogP of 27.50, 75 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 158092374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).