[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C21H25NO6 — CID 24685929

IUPAC[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCCOc1ccc(CCNC(=O)COC(=O)/C=C/c2ccco2)cc1OCC
InChIInChI=1S/C21H25NO6/c1-3-25-18-9-7-16(14-19(18)26-4-2)11-12-22-20(23)15-28-21(24)10-8-17-6-5-13-27-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,22,23)/b10-8+
InChIKeySDHWIBXXGVLEAT-CSKARUKUSA-N
MW387.43 g/mol
LogP2.99
Rot. Bonds11

About [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 24685929) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID24685929
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCCOc1ccc(CCNC(=O)COC(=O)/C=C/c2ccco2)cc1OCC
InChIInChI=1S/C21H25NO6/c1-3-25-18-9-7-16(14-19(18)26-4-2)11-12-22-20(23)15-28-21(24)10-8-17-6-5-13-27-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,22,23)/b10-8+
InChIKeySDHWIBXXGVLEAT-CSKARUKUSA-N
XLogP2.99
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.99
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

5-[(2-methoxy-4-propylphenoxy)methyl]-N-propyl-2-furamide
CID 2166253
3-(3,4-Dimethoxyphenyl)-3-[(furan-2-carbonyl)-amino]propionic acid
CID 645152
N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 703899
3-Furan-2-yl-N-[2-(4-methoxy-phenyl)-ethyl]-acrylamide
CID 963760
[2-Oxo-2-(2-phenylethylamino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2356972
2-(Tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl furan-2-carboxylate
CID 3154015
Thiophene-2-carboxylic acid 1-[2-(3,4-dimethoxy-phenyl)-ethylcarbamoyl]-ethyl ester
CID 3220261
Methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethoxy]-3-methoxybenzoate
CID 3646368
[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4438642
Furan-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6490912
Furan-2-carboxylic acid {3-[2-(3,4-dimethyl-phenoxy)-acetylamino]-propyl}-amide
CID 6490916
N-(2-{[2-(3,4-dimethylphenoxy)acetyl]amino}ethyl)-2-furamide
CID 6490919

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 24685929) is [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is CCOc1ccc(CCNC(=O)COC(=O)/C=C/c2ccco2)cc1OCC.
What is the InChIKey of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is SDHWIBXXGVLEAT-CSKARUKUSA-N. The full InChI is InChI=1S/C21H25NO6/c1-3-25-18-9-7-16(14-19(18)26-4-2)11-12-22-20(23)15-28-21(24)10-8-17-6-5-13-27-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,22,23)/b10-8+.
What are the key properties of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 387.43 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 24685929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).