[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

C19H21NO6 — CID 24558114

IUPAC[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)NC(=O)c2ccco2)ccc1C(C)C
InChIInChI=1S/C19H21NO6/c1-12(2)15-7-6-14(9-13(15)3)25-11-18(22)26-10-17(21)20-19(23)16-5-4-8-24-16/h4-9,12H,10-11H2,1-3H3,(H,20,21,23)
InChIKeyRGJWFJJCMVGEER-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.59
Rot. Bonds7

About [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (PubChem CID 24558114) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
PubChem CID24558114
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)NC(=O)c2ccco2)ccc1C(C)C
InChIInChI=1S/C19H21NO6/c1-12(2)15-7-6-14(9-13(15)3)25-11-18(22)26-10-17(21)20-19(23)16-5-4-8-24-16/h4-9,12H,10-11H2,1-3H3,(H,20,21,23)
InChIKeyRGJWFJJCMVGEER-UHFFFAOYSA-N
XLogP2.59
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 24558117
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 24557569
methyl 2-[[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]-3-phenylpropanoate
CID 46607100
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51574808
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8806310
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8951493
N-[2-(3-aminophenoxy)acetyl]furan-2-carboxamide
CID 54909239
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46794045
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 27970560
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7981951
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923873
N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 46590053

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (CID 24558114) is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is Cc1cc(OCC(=O)OCC(=O)NC(=O)c2ccco2)ccc1C(C)C.
What is the InChIKey of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The InChIKey is RGJWFJJCMVGEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-12(2)15-7-6-14(9-13(15)3)25-11-18(22)26-10-17(21)20-19(23)16-5-4-8-24-16/h4-9,12H,10-11H2,1-3H3,(H,20,21,23).
What are the key properties of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate has a molecular weight of 359.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 24558114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).