(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate

C20H18N2O4 — CID 2613781

IUPAC(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-19(22-15-7-2-1-3-8-15)14-26-20(24)17-10-4-5-11-18(17)21-13-16-9-6-12-25-16/h1-12,21H,13-14H2,(H,22,23)
InChIKeyNCIFFWLLIAJZEY-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.69
Rot. Bonds7

About (2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate

(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate (PubChem CID 2613781) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
PubChem CID2613781
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-19(22-15-7-2-1-3-8-15)14-26-20(24)17-10-4-5-11-18(17)21-13-16-9-6-12-25-16/h1-12,21H,13-14H2,(H,22,23)
InChIKeyNCIFFWLLIAJZEY-UHFFFAOYSA-N
XLogP3.69
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150083
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 4840922
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224219
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224212
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613689
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 16505050
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7602503
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 55465471
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7256849
[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate (CID 2613781) is (2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate is O=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is NCIFFWLLIAJZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(22-15-7-2-1-3-8-15)14-26-20(24)17-10-4-5-11-18(17)21-13-16-9-6-12-25-16/h1-12,21H,13-14H2,(H,22,23).
What are the key properties of (2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate?
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 350.37 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 2613781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).