methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate

C19H20N2O5 — CID 7328740

IUPACmethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)/C=C/c2ccco2)ccc1N1CCOCC1
InChIInChI=1S/C19H20N2O5/c1-24-19(23)16-13-14(4-6-17(16)21-8-11-25-12-9-21)20-18(22)7-5-15-3-2-10-26-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)/b7-5+
InChIKeyKVMZTMIXUYFYTD-FNORWQNLSA-N
MW356.38 g/mol
LogP2.55
Rot. Bonds5

About methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate

methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate (PubChem CID 7328740) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate
PubChem CID7328740
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)/C=C/c2ccco2)ccc1N1CCOCC1
InChIInChI=1S/C19H20N2O5/c1-24-19(23)16-13-14(4-6-17(16)21-8-11-25-12-9-21)20-18(22)7-5-15-3-2-10-26-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)/b7-5+
InChIKeyKVMZTMIXUYFYTD-FNORWQNLSA-N
XLogP2.55
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate (CID 7328740) is methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NC(=O)/C=C/c2ccco2)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate?
The InChIKey is KVMZTMIXUYFYTD-FNORWQNLSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-24-19(23)16-13-14(4-6-17(16)21-8-11-25-12-9-21)20-18(22)7-5-15-3-2-10-26-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)/b7-5+.
What are the key properties of methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate?
methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate has a molecular weight of 356.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 7328740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).