[2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

C19H21NO8 — CID 25290254

IUPAC[2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)OCC(=O)NC(=O)c2ccco2)cc(OC)c1OC
InChIInChI=1S/C19H21NO8/c1-24-14-9-12(10-15(25-2)18(14)26-3)6-7-17(22)28-11-16(21)20-19(23)13-5-4-8-27-13/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,21,23)
InChIKeyTVCRMRWXTIBHMI-UHFFFAOYSA-N
MW391.38 g/mol
LogP1.74
Rot. Bonds9

About [2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

[2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 25290254) has the molecular formula C19H21NO8 and a molecular weight of 391.38 g/mol. Its IUPAC name is [2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID25290254
Molecular FormulaC19H21NO8
Molecular Weight391.38 g/mol
Exact Mass391.13
IUPAC Name[2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)OCC(=O)NC(=O)c2ccco2)cc(OC)c1OC
InChIInChI=1S/C19H21NO8/c1-24-14-9-12(10-15(25-2)18(14)26-3)6-7-17(22)28-11-16(21)20-19(23)13-5-4-8-27-13/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,21,23)
InChIKeyTVCRMRWXTIBHMI-UHFFFAOYSA-N
XLogP1.74
TPSA113.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019120
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776426
[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019117
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019107
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019343
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776286
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 9230271
[2-(benzylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325328
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776550
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 3881246
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019364
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (CID 25290254) is [2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for [2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for [2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is COc1cc(CCC(=O)OCC(=O)NC(=O)c2ccco2)cc(OC)c1OC.
What is the InChIKey of [2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is TVCRMRWXTIBHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO8/c1-24-14-9-12(10-15(25-2)18(14)26-3)6-7-17(22)28-11-16(21)20-19(23)13-5-4-8-27-13/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,21,23).
What are the key properties of [2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
[2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 391.38 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 25290254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).