[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate

C22H18N2O6 — CID 2624130

IUPAC[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESO=C1COc2ccc(C(=O)COC(=O)c3ccccc3NCc3ccco3)cc2N1
InChIInChI=1S/C22H18N2O6/c25-19(14-7-8-20-18(10-14)24-21(26)13-29-20)12-30-22(27)16-5-1-2-6-17(16)23-11-15-4-3-9-28-15/h1-10,23H,11-13H2,(H,24,26)
InChIKeyMTYMOYQJLSMMKM-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.26
Rot. Bonds7

About [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 2624130) has the molecular formula C22H18N2O6 and a molecular weight of 406.39 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID2624130
Molecular FormulaC22H18N2O6
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESO=C1COc2ccc(C(=O)COC(=O)c3ccccc3NCc3ccco3)cc2N1
InChIInChI=1S/C22H18N2O6/c25-19(14-7-8-20-18(10-14)24-21(26)13-29-20)12-30-22(27)16-5-1-2-6-17(16)23-11-15-4-3-9-28-15/h1-10,23H,11-13H2,(H,24,26)
InChIKeyMTYMOYQJLSMMKM-UHFFFAOYSA-N
XLogP3.26
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224156
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] thiophene-2-carboxylate
CID 2346452
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1-ethylindole-3-carboxylate
CID 24523001
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 30156719
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613689
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55308750
6-[(2-aminoanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 115124473
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 16505050
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 4611682
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55491378

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate (CID 2624130) is [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate is O=C1COc2ccc(C(=O)COC(=O)c3ccccc3NCc3ccco3)cc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is MTYMOYQJLSMMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6/c25-19(14-7-8-20-18(10-14)24-21(26)13-29-20)12-30-22(27)16-5-1-2-6-17(16)23-11-15-4-3-9-28-15/h1-10,23H,11-13H2,(H,24,26).
What are the key properties of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 406.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 2624130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).