4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide

C23H24N2O3 — CID 8967994

IUPAC4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C23H24N2O3/c1-4-20-19(18-7-5-6-8-21(18)28-20)13-14-22(26)25(3)15-16-9-11-17(12-10-16)23(27)24-2/h5-14H,4,15H2,1-3H3,(H,24,27)/b14-13+
InChIKeyQNRYYJRPGVTEMF-BUHFOSPRSA-N
MW376.46 g/mol
LogP4.03
Rot. Bonds6

About 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide

4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 8967994) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID8967994
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C23H24N2O3/c1-4-20-19(18-7-5-6-8-21(18)28-20)13-14-22(26)25(3)15-16-9-11-17(12-10-16)23(27)24-2/h5-14H,4,15H2,1-3H3,(H,24,27)/b14-13+
InChIKeyQNRYYJRPGVTEMF-BUHFOSPRSA-N
XLogP4.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide 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

4-[[[(E)-3-(2-bromophenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8967218
N'-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 8870811
N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 72687885
N-methyl-4-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 8964734
(E)-N,N-bis(2-cyanoethyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 51250724
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
CID 46532048
N-methyl-4-[[methyl-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]methyl]benzamide
CID 8966054
4-[[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8967943
4-[[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8966120
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 26273248
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 55697866
4-[[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8966362

Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide (CID 8967994) is 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide is CCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is QNRYYJRPGVTEMF-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-20-19(18-7-5-6-8-21(18)28-20)13-14-22(26)25(3)15-16-9-11-17(12-10-16)23(27)24-2/h5-14H,4,15H2,1-3H3,(H,24,27)/b14-13+.
What are the key properties of 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 8967994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).