3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid

C19H22N2O6 — CID 119206961

IUPAC3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)COc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H22N2O6/c1-13(2)21(9-8-18(23)24)17(22)12-27-15-6-3-5-14(11-15)20-19(25)16-7-4-10-26-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyXLFIEOQXWIOMHC-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.62
Rot. Bonds9

About 3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid

3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid (PubChem CID 119206961) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid
PubChem CID119206961
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)COc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H22N2O6/c1-13(2)21(9-8-18(23)24)17(22)12-27-15-6-3-5-14(11-15)20-19(25)16-7-4-10-26-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyXLFIEOQXWIOMHC-UHFFFAOYSA-N
XLogP2.62
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 78861839
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474685
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119655116
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 120508273
N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616404
N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46546691
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511
N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616521

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid (CID 119206961) is 3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)COc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of 3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid?
The InChIKey is XLFIEOQXWIOMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-13(2)21(9-8-18(23)24)17(22)12-27-15-6-3-5-14(11-15)20-19(25)16-7-4-10-26-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of 3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid?
3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid has a molecular weight of 374.39 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 119206961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).