2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid

C17H19NO4 — CID 119352015

IUPAC2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
SMILESCCc1cc(C(=O)Nc2cccc(CC(=O)O)c2)oc1CC
InChIInChI=1S/C17H19NO4/c1-3-12-10-15(22-14(12)4-2)17(21)18-13-7-5-6-11(8-13)9-16(19)20/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyASFDWBUYSMLPFS-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.28
Rot. Bonds6

About 2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid

2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 119352015) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
PubChem CID119352015
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
SMILESCCc1cc(C(=O)Nc2cccc(CC(=O)O)c2)oc1CC
InChIInChI=1S/C17H19NO4/c1-3-12-10-15(22-14(12)4-2)17(21)18-13-7-5-6-11(8-13)9-16(19)20/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyASFDWBUYSMLPFS-UHFFFAOYSA-N
XLogP3.28
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 65346308
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CID 120821824
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128
2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
CID 59654716
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822057

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid (CID 119352015) is 2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid is CCc1cc(C(=O)Nc2cccc(CC(=O)O)c2)oc1CC.
What is the InChIKey of 2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is ASFDWBUYSMLPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-12-10-15(22-14(12)4-2)17(21)18-13-7-5-6-11(8-13)9-16(19)20/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid?
2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 301.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 119352015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).