2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid

C18H20N2O6 — CID 119255513

IUPAC2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid
SMILESCC(NC(=O)c1ccoc1)C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H20N2O6/c1-12(20-18(24)14-7-9-25-10-14)17(23)19-8-6-13-2-4-15(5-3-13)26-11-16(21)22/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyUQGGUEGDVGDNRY-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.22
Rot. Bonds9

About 2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid

2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid (PubChem CID 119255513) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid
PubChem CID119255513
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid
SMILESCC(NC(=O)c1ccoc1)C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H20N2O6/c1-12(20-18(24)14-7-9-25-10-14)17(23)19-8-6-13-2-4-15(5-3-13)26-11-16(21)22/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyUQGGUEGDVGDNRY-UHFFFAOYSA-N
XLogP1.22
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
N-[1-oxo-1-[(2-phenoxy-4-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 47057211
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid (CID 119255513) is 2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid is CC(NC(=O)c1ccoc1)C(=O)NCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid?
The InChIKey is UQGGUEGDVGDNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-12(20-18(24)14-7-9-25-10-14)17(23)19-8-6-13-2-4-15(5-3-13)26-11-16(21)22/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid has a molecular weight of 360.37 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).