N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide

C20H20N2O3 — CID 38206239

IUPACN-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCCNC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-19(9-7-15-6-8-18-17(14-15)10-13-25-18)21-11-12-22-20(24)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,21,23)(H,22,24)/b9-7+
InChIKeyAGSJTUKHIPSWBX-VQHVLOKHSA-N
MW336.39 g/mol
LogP2.18
Rot. Bonds6

About N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide

N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide (PubChem CID 38206239) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide
PubChem CID38206239
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCCNC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-19(9-7-15-6-8-18-17(14-15)10-13-25-18)21-11-12-22-20(24)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,21,23)(H,22,24)/b9-7+
InChIKeyAGSJTUKHIPSWBX-VQHVLOKHSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide 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

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 51298671
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide
CID 24614598
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-methylphenyl)methyl]prop-2-enamide
CID 34166778
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 104857759
N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide
CID 9414776
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 122141489
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115649595
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 24617872
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 35211768
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713325
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide
CID 60566015

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide (CID 38206239) is N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide is O=C(/C=C/c1ccc2c(c1)CCO2)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is AGSJTUKHIPSWBX-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(9-7-15-6-8-18-17(14-15)10-13-25-18)21-11-12-22-20(24)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,21,23)(H,22,24)/b9-7+.
What are the key properties of N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide?
N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 38206239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).