6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid

C22H28N2O6 — CID 123651894

IUPAC6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid
SMILESO=C(O)CCCCCOC1COCCN1CNC(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C22H28N2O6/c25-21(26)6-2-1-3-12-30-20-15-28-14-11-24(20)16-23-22(27)18-9-7-17(8-10-18)19-5-4-13-29-19/h4-5,7-10,13,20H,1-3,6,11-12,14-16H2,(H,23,27)(H,25,26)
InChIKeyGBZZOKZOEWAIMJ-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.95
Rot. Bonds11

About 6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid

6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid (PubChem CID 123651894) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is 6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid.

Molecular Properties

Compound Name6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid
PubChem CID123651894
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid
SMILESO=C(O)CCCCCOC1COCCN1CNC(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C22H28N2O6/c25-21(26)6-2-1-3-12-30-20-15-28-14-11-24(20)16-23-22(27)18-9-7-17(8-10-18)19-5-4-13-29-19/h4-5,7-10,13,20H,1-3,6,11-12,14-16H2,(H,23,27)(H,25,26)
InChIKeyGBZZOKZOEWAIMJ-UHFFFAOYSA-N
XLogP2.95
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[[[4-(furan-2-yl)benzoyl]amino]methyl]-4-methylphenoxy]hexanoic acid
CID 123514212
6-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]cyclopentyl]oxyhexanoic acid
CID 121270291
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]-deuteriomethyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]-deuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]-deuteriomethyl]phenoxy]hexanoic acid;bis(6-[4-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid);6-[2-[deuterio-[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid
CID 159140776
6-[2-[[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]-hydroxymethyl]phenoxy]hexanoic acid
CID 145060902
6-[2-[[cyclopentyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid
CID 86281299
4-(furan-2-yl)-N'-(4-morpholin-4-yl-4-oxobutanoyl)benzohydrazide
CID 3887037
6-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-methylphenoxy]hexanoic acid
CID 121270723
6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]-deuteriomethyl]phenoxy]hexanoic acid
CID 121270679
6-[2-[5-[4-(furan-2-yl)phenyl]-1-methylimidazol-2-yl]phenoxy]hexanoic acid
CID 86281959
4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid
CID 23005243
6-[4-bromo-2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
CID 121270399

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid?
The IUPAC name of 6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid (CID 123651894) is 6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid.
What is the SMILES notation for 6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid?
The canonical SMILES for 6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid is O=C(O)CCCCCOC1COCCN1CNC(=O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid?
The InChIKey is GBZZOKZOEWAIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c25-21(26)6-2-1-3-12-30-20-15-28-14-11-24(20)16-23-22(27)18-9-7-17(8-10-18)19-5-4-13-29-19/h4-5,7-10,13,20H,1-3,6,11-12,14-16H2,(H,23,27)(H,25,26).
What are the key properties of 6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid?
6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid has a molecular weight of 416.47 g/mol, XLogP of 2.95, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[[4-(furan-2-yl)benzoyl]amino]methyl]morpholin-3-yl]oxyhexanoic acid is sourced from PubChem (CID 123651894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).