[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate

C19H22N2O5 — CID 41324398

IUPAC[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate
SMILESCC(=O)NCCc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C19H22N2O5/c1-13(17-4-3-11-25-17)21-18(23)12-26-19(24)16-7-5-15(6-8-16)9-10-20-14(2)22/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyOCOHECUBEMQAHL-CYBMUJFWSA-N
MW358.39 g/mol
LogP1.99
Rot. Bonds8

About [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate

[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate (PubChem CID 41324398) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate
PubChem CID41324398
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate
SMILESCC(=O)NCCc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C19H22N2O5/c1-13(17-4-3-11-25-17)21-18(23)12-26-19(24)16-7-5-15(6-8-16)9-10-20-14(2)22/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyOCOHECUBEMQAHL-CYBMUJFWSA-N
XLogP1.99
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate with MolForge

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Related Compounds

[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 9201966
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate
CID 8632761
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229107
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-phenoxybenzoate
CID 9081631
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropyl)benzoate
CID 8538238
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644747
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492394
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 43033084
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 9342611
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197604
2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9482244

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate?
The IUPAC name of [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate (CID 41324398) is [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate.
What is the SMILES notation for [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate?
The canonical SMILES for [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate is CC(=O)NCCc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccco2)cc1.
What is the InChIKey of [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate?
The InChIKey is OCOHECUBEMQAHL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13(17-4-3-11-25-17)21-18(23)12-26-19(24)16-7-5-15(6-8-16)9-10-20-14(2)22/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,22)(H,21,23)/t13-/m1/s1.
What are the key properties of [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate?
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate has a molecular weight of 358.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-(2-acetamidoethyl)benzoate is sourced from PubChem (CID 41324398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).