ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate

C24H20N2O5 — CID 30138413

IUPACethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/c1ccc(NC(=O)c2occc2COc2ccccc2)cc1
InChIInChI=1S/C24H20N2O5/c1-2-29-24(28)19(15-25)14-17-8-10-20(11-9-17)26-23(27)22-18(12-13-30-22)16-31-21-6-4-3-5-7-21/h3-14H,2,16H2,1H3,(H,26,27)/b19-14+
InChIKeyFLPMXXFEXBCELC-XMHGGMMESA-N
MW416.43 g/mol
LogP4.58
Rot. Bonds8

About ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate

ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate (PubChem CID 30138413) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate
PubChem CID30138413
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Nameethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/c1ccc(NC(=O)c2occc2COc2ccccc2)cc1
InChIInChI=1S/C24H20N2O5/c1-2-29-24(28)19(15-25)14-17-8-10-20(11-9-17)26-23(27)22-18(12-13-30-22)16-31-21-6-4-3-5-7-21/h3-14H,2,16H2,1H3,(H,26,27)/b19-14+
InChIKeyFLPMXXFEXBCELC-XMHGGMMESA-N
XLogP4.58
TPSA101.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-[4-(2-anilino-2-oxoethoxy)phenyl]-2-cyanoprop-2-enoate
CID 1105528
ethyl (E)-2-cyano-3-[4-[[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]anilino]-2-oxoacetyl]amino]phenyl]prop-2-enoate
CID 6304333
ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
CID 34202497
ethyl (E)-2-cyano-3-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]prop-2-enoate
CID 2384659
ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate
CID 87043175
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55856148
(Z)-2-cyano-N-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 2360160
4-[[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenoxy]methyl]benzoic acid
CID 3819103
N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56533885
ethyl (E)-2-cyano-3-[4-(decanoylamino)phenyl]prop-2-enoate
CID 22706785
[4-[(4-methylphenyl)carbamoyl]phenyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 19176357
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate (CID 30138413) is ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate is CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)c2occc2COc2ccccc2)cc1.
What is the InChIKey of ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate?
The InChIKey is FLPMXXFEXBCELC-XMHGGMMESA-N. The full InChI is InChI=1S/C24H20N2O5/c1-2-29-24(28)19(15-25)14-17-8-10-20(11-9-17)26-23(27)22-18(12-13-30-22)16-31-21-6-4-3-5-7-21/h3-14H,2,16H2,1H3,(H,26,27)/b19-14+.
What are the key properties of ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate?
ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate has a molecular weight of 416.43 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate is sourced from PubChem (CID 30138413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).