[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate

C19H22N2O5 — CID 7908958

IUPAC[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C19H22N2O5/c1-3-14-6-8-15(9-7-14)21-18(23)13(2)26-17(22)10-11-20-19(24)16-5-4-12-25-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,20,24)(H,21,23)/t13-/m1/s1
InChIKeyLCALMTFUQACPFD-CYBMUJFWSA-N
MW358.39 g/mol
LogP2.53
Rot. Bonds8

About [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 7908958) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
PubChem CID7908958
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C19H22N2O5/c1-3-14-6-8-15(9-7-14)21-18(23)13(2)26-17(22)10-11-20-19(24)16-5-4-12-25-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,20,24)(H,21,23)/t13-/m1/s1
InChIKeyLCALMTFUQACPFD-CYBMUJFWSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7909111
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 46811128
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908953
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7909110
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566259
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879966
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791748
[1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 154763430
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)propanoate
CID 46795944
(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
CID 46695851
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8523244
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993265

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate (CID 7908958) is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate is CCc1ccc(NC(=O)[C@@H](C)OC(=O)CCNC(=O)c2ccco2)cc1.
What is the InChIKey of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is LCALMTFUQACPFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-14-6-8-15(9-7-14)21-18(23)13(2)26-17(22)10-11-20-19(24)16-5-4-12-25-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,20,24)(H,21,23)/t13-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate?
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 358.39 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 7908958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).