2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid

C19H20N2O6 — CID 119214756

IUPAC2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cccc(NC(=O)c3ccco3)c2)CCOCC1
InChIInChI=1S/C19H20N2O6/c22-16(23)12-19(6-9-26-10-7-19)21-17(24)13-3-1-4-14(11-13)20-18(25)15-5-2-8-27-15/h1-5,8,11H,6-7,9-10,12H2,(H,20,25)(H,21,24)(H,22,23)
InChIKeyWLBRAGZTIYGHDE-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.29
Rot. Bonds6

About 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid

2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid (PubChem CID 119214756) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid
PubChem CID119214756
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cccc(NC(=O)c3ccco3)c2)CCOCC1
InChIInChI=1S/C19H20N2O6/c22-16(23)12-19(6-9-26-10-7-19)21-17(24)13-3-1-4-14(11-13)20-18(25)15-5-2-8-27-15/h1-5,8,11H,6-7,9-10,12H2,(H,20,25)(H,21,24)(H,22,23)
InChIKeyWLBRAGZTIYGHDE-UHFFFAOYSA-N
XLogP2.29
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[3-(pyridine-3-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid
CID 120521473
2-[4-[(3-nitrobenzoyl)amino]oxan-4-yl]acetic acid
CID 119214767
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
CID 17172382
2-[4-[[2-[(3-bromobenzoyl)amino]acetyl]amino]oxan-4-yl]acetic acid
CID 120521496
2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214844
2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid
CID 119217971
N-[3-[(3-ethenylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 891471
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid (CID 119214756) is 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)c2cccc(NC(=O)c3ccco3)c2)CCOCC1.
What is the InChIKey of 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid?
The InChIKey is WLBRAGZTIYGHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c22-16(23)12-19(6-9-26-10-7-19)21-17(24)13-3-1-4-14(11-13)20-18(25)15-5-2-8-27-15/h1-5,8,11H,6-7,9-10,12H2,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid?
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid has a molecular weight of 372.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).