ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate

C19H21NO6 — CID 19467659

IUPACethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate
SMILESCCOC(=O)/C=C(\C)NC(=O)c1ccc(COc2ccccc2OC)o1
InChIInChI=1S/C19H21NO6/c1-4-24-18(21)11-13(2)20-19(22)17-10-9-14(26-17)12-25-16-8-6-5-7-15(16)23-3/h5-11H,4,12H2,1-3H3,(H,20,22)/b13-11+
InChIKeySSMDULZMDDXLGZ-ACCUITESSA-N
MW359.38 g/mol
LogP3.06
Rot. Bonds8

About ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate

ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate (PubChem CID 19467659) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate
PubChem CID19467659
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Nameethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate
SMILESCCOC(=O)/C=C(\C)NC(=O)c1ccc(COc2ccccc2OC)o1
InChIInChI=1S/C19H21NO6/c1-4-24-18(21)11-13(2)20-19(22)17-10-9-14(26-17)12-25-16-8-6-5-7-15(16)23-3/h5-11H,4,12H2,1-3H3,(H,20,22)/b13-11+
InChIKeySSMDULZMDDXLGZ-ACCUITESSA-N
XLogP3.06
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
N-[2-(ethylamino)-2-oxoethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 86997976
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
5-[(2-methoxyphenoxy)methyl]-N'-pyrimidin-2-ylfuran-2-carbohydrazide
CID 87015415
5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
CID 3153929
5-[(2-methoxyphenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 3542536
methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781590
5-[(2-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041704
dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19467511
ethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19467524

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate?
The IUPAC name of ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate (CID 19467659) is ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate.
What is the SMILES notation for ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate?
The canonical SMILES for ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate is CCOC(=O)/C=C(\C)NC(=O)c1ccc(COc2ccccc2OC)o1.
What is the InChIKey of ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate?
The InChIKey is SSMDULZMDDXLGZ-ACCUITESSA-N. The full InChI is InChI=1S/C19H21NO6/c1-4-24-18(21)11-13(2)20-19(22)17-10-9-14(26-17)12-25-16-8-6-5-7-15(16)23-3/h5-11H,4,12H2,1-3H3,(H,20,22)/b13-11+.
What are the key properties of ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate?
ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate has a molecular weight of 359.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]but-2-enoate is sourced from PubChem (CID 19467659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).