[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate

C17H17NO5 — CID 2526558

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCOc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C)o2)cc1
InChIInChI=1S/C17H17NO5/c1-12-3-6-15(23-12)9-10-17(20)22-11-16(19)18-13-4-7-14(21-2)8-5-13/h3-10H,11H2,1-2H3,(H,18,19)/b10-9+
InChIKeyDOKSWNFUHHGMFH-MDZDMXLPSA-N
MW315.33 g/mol
LogP2.79
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate

[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate (PubChem CID 2526558) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
PubChem CID2526558
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCOc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C)o2)cc1
InChIInChI=1S/C17H17NO5/c1-12-3-6-15(23-12)9-10-17(20)22-11-16(19)18-13-4-7-14(21-2)8-5-13/h3-10H,11H2,1-2H3,(H,18,19)/b10-9+
InChIKeyDOKSWNFUHHGMFH-MDZDMXLPSA-N
XLogP2.79
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-iodoanilino)-2-oxoethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 3910812
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 3691981
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 6212150
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 71953340
[2-(carbamoylamino)-2-oxoethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 3652907
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 4021669
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543477
methyl 4-[[2-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]oxyacetyl]amino]benzoate
CID 2385422
[4-(ethoxycarbonylamino)phenyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 72688914
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate
CID 55397468
[2-(4-methoxyanilino)-2-oxoethyl] 3-(3-bromophenyl)prop-2-enoate
CID 3527896
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 2508502

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate (CID 2526558) is [2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate is COc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C)o2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The InChIKey is DOKSWNFUHHGMFH-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17NO5/c1-12-3-6-15(23-12)9-10-17(20)22-11-16(19)18-13-4-7-14(21-2)8-5-13/h3-10H,11H2,1-2H3,(H,18,19)/b10-9+.
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate has a molecular weight of 315.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 2526558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).