3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid

C16H17NO5 — CID 3124261

IUPAC3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H17NO5/c1-2-21-12-7-5-11(6-8-12)13(10-15(18)19)17-16(20)14-4-3-9-22-14/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyBKGVNTNREZYTSI-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.62
Rot. Bonds7

About 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid

3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid (PubChem CID 3124261) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
PubChem CID3124261
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H17NO5/c1-2-21-12-7-5-11(6-8-12)13(10-15(18)19)17-16(20)14-4-3-9-22-14/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyBKGVNTNREZYTSI-UHFFFAOYSA-N
XLogP2.62
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

A 317920
CID 10389213
Furan-2-carboxamide deriv., 19
CID 44236905
(2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid
CID 90896292
(2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid
CID 134179072
6-{(S)-2-[(Benzofuran-2-carbonyl)-amino]-5-benzyloxycarbonylamino-pentanoylamino}-hexanoic acid
CID 11249458
5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519
5-[(4-Methoxy-benzoylamino)-methyl]-furan-2-carboxylic acid
CID 976896
5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 5295624
3-(3,4-Dimethoxyphenyl)-3-[(furan-2-carbonyl)-amino]propionic acid
CID 645152
N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 16193996
2-(Furan-2-carboxamido)-3-(4-hydroxyphenyl)propanoic acid
CID 565567
N-benzylfuran-2-carboxamide
CID 347531

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid (CID 3124261) is 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid is CCOc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid?
The InChIKey is BKGVNTNREZYTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-2-21-12-7-5-11(6-8-12)13(10-15(18)19)17-16(20)14-4-3-9-22-14/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid?
3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid has a molecular weight of 303.31 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid is sourced from PubChem (CID 3124261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).