[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

C17H18N2O5 — CID 7880275

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCc1ccc(C)c(NC(=O)COC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C17H18N2O5/c1-11-5-6-12(2)13(8-11)19-15(20)10-24-16(21)9-18-17(22)14-4-3-7-23-14/h3-8H,9-10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyVCTRWHAXRURTLT-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.81
Rot. Bonds6

About [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 7880275) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID7880275
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCc1ccc(C)c(NC(=O)COC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C17H18N2O5/c1-11-5-6-12(2)13(8-11)19-15(20)10-24-16(21)9-18-17(22)14-4-3-7-23-14/h3-8H,9-10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyVCTRWHAXRURTLT-UHFFFAOYSA-N
XLogP1.81
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879716
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879587
(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
CID 46791464
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875399
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 55318274
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807853
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879506
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 2427987
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875456
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 46791532

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 7880275) is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is Cc1ccc(C)c(NC(=O)COC(=O)CNC(=O)c2ccco2)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is VCTRWHAXRURTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11-5-6-12(2)13(8-11)19-15(20)10-24-16(21)9-18-17(22)14-4-3-7-23-14/h3-8H,9-10H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 330.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7880275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).