[2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate

C23H21NO5 — CID 2098090

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1ccccc1/C=C(\C(=O)OCC(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C23H21NO5/c1-27-21-12-6-5-10-18(21)14-20(17-8-3-2-4-9-17)23(26)29-16-22(25)24-15-19-11-7-13-28-19/h2-14H,15-16H2,1H3,(H,24,25)/b20-14-
InChIKeyZYRRMDFIVNWMIN-ZHZULCJRSA-N
MW391.42 g/mol
LogP3.69
Rot. Bonds8

About [2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate (PubChem CID 2098090) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
PubChem CID2098090
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1ccccc1/C=C(\C(=O)OCC(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C23H21NO5/c1-27-21-12-6-5-10-18(21)14-20(17-8-3-2-4-9-17)23(26)29-16-22(25)24-15-19-11-7-13-28-19/h2-14H,15-16H2,1H3,(H,24,25)/b20-14-
InChIKeyZYRRMDFIVNWMIN-ZHZULCJRSA-N
XLogP3.69
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 3439565
[2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 9271579
(2-amino-2-oxoethyl) 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 5025744
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2602268
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448232
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2460171
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 31143401
[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448214
N-(furan-2-ylmethyl)-N'-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]oxamide
CID 27686217
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2513845
[2-(4-chlorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 3374107
[2-(3-methylsulfanylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 16533995

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate (CID 2098090) is [2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate is COc1ccccc1/C=C(\C(=O)OCC(=O)NCc1ccco1)c1ccccc1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The InChIKey is ZYRRMDFIVNWMIN-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-21-12-6-5-10-18(21)14-20(17-8-3-2-4-9-17)23(26)29-16-22(25)24-15-19-11-7-13-28-19/h2-14H,15-16H2,1H3,(H,24,25)/b20-14-.
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate has a molecular weight of 391.42 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate is sourced from PubChem (CID 2098090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).