(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate

C15H14N2O5 — CID 2605474

IUPAC(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(N)=O)cc1NC(=O)c1ccco1
InChIInChI=1S/C15H14N2O5/c1-9-4-5-10(15(20)22-8-13(16)18)7-11(9)17-14(19)12-3-2-6-21-12/h2-7H,8H2,1H3,(H2,16,18)(H,17,19)
InChIKeySDIBGAMWZPABPY-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.48
Rot. Bonds5

About (2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate

(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 2605474) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID2605474
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(N)=O)cc1NC(=O)c1ccco1
InChIInChI=1S/C15H14N2O5/c1-9-4-5-10(15(20)22-8-13(16)18)7-11(9)17-14(19)12-3-2-6-21-12/h2-7H,8H2,1H3,(H2,16,18)(H,17,19)
InChIKeySDIBGAMWZPABPY-UHFFFAOYSA-N
XLogP1.48
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
[2-(4-bromophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4801787
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
(2-oxo-2-propan-2-yloxyethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 24557608
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4858769
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2357454
(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7846624
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605555
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7544411

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 2605474) is (2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)OCC(N)=O)cc1NC(=O)c1ccco1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is SDIBGAMWZPABPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-9-4-5-10(15(20)22-8-13(16)18)7-11(9)17-14(19)12-3-2-6-21-12/h2-7H,8H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of (2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate?
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 302.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 2605474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).