ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate

C23H23NO7 — CID 16814961

IUPACethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)/C=C\c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H23NO7/c1-5-30-23(26)22-20(15-8-6-7-9-16(15)31-22)24-19(25)11-10-14-12-17(27-2)21(29-4)18(13-14)28-3/h6-13H,5H2,1-4H3,(H,24,25)/b11-10-
InChIKeyRFXUHSZHJZPMRV-KHPPLWFESA-N
MW425.44 g/mol
LogP4.29
Rot. Bonds8

About ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate

ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate (PubChem CID 16814961) has the molecular formula C23H23NO7 and a molecular weight of 425.44 g/mol. Its IUPAC name is ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate
PubChem CID16814961
Molecular FormulaC23H23NO7
Molecular Weight425.44 g/mol
Exact Mass425.15
IUPAC Nameethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)/C=C\c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H23NO7/c1-5-30-23(26)22-20(15-8-6-7-9-16(15)31-22)24-19(25)11-10-14-12-17(27-2)21(29-4)18(13-14)28-3/h6-13H,5H2,1-4H3,(H,24,25)/b11-10-
InChIKeyRFXUHSZHJZPMRV-KHPPLWFESA-N
XLogP4.29
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
ethyl 2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]-1-benzothiophene-3-carboxylate
CID 74908187
ethyl 3-[(5-chloro-2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117043
ethyl 4-acetyl-5-methyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108763592
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
(E)-N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 19114821
N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75618952
ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117042
3-[[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 16566807
ethyl 1-phenyl-5-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]pyrazole-4-carboxylate
CID 108761416
[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 3990734

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate (CID 16814961) is ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1NC(=O)/C=C\c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate?
The InChIKey is RFXUHSZHJZPMRV-KHPPLWFESA-N. The full InChI is InChI=1S/C23H23NO7/c1-5-30-23(26)22-20(15-8-6-7-9-16(15)31-22)24-19(25)11-10-14-12-17(27-2)21(29-4)18(13-14)28-3/h6-13H,5H2,1-4H3,(H,24,25)/b11-10-.
What are the key properties of ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate?
ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate has a molecular weight of 425.44 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 16814961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).