ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate

C19H23NO7 — CID 8639630

IUPACethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC=CCC2)oc(C)c1C(C)=O
InChIInChI=1S/C19H23NO7/c1-4-25-19(24)16-15(11(2)21)12(3)27-17(16)20-14(22)10-26-18(23)13-8-6-5-7-9-13/h5-6,13H,4,7-10H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyFVOZTVUASZVDKH-CYBMUJFWSA-N
MW377.39 g/mol
LogP2.81
Rot. Bonds7

About ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate

ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 8639630) has the molecular formula C19H23NO7 and a molecular weight of 377.39 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID8639630
Molecular FormulaC19H23NO7
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC Nameethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC=CCC2)oc(C)c1C(C)=O
InChIInChI=1S/C19H23NO7/c1-4-25-19(24)16-15(11(2)21)12(3)27-17(16)20-14(22)10-26-18(23)13-8-6-5-7-9-13/h5-6,13H,4,7-10H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyFVOZTVUASZVDKH-CYBMUJFWSA-N
XLogP2.81
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate (CID 8639630) is ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC=CCC2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is FVOZTVUASZVDKH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23NO7/c1-4-25-19(24)16-15(11(2)21)12(3)27-17(16)20-14(22)10-26-18(23)13-8-6-5-7-9-13/h5-6,13H,4,7-10H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 377.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 8639630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).