(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide

C19H21NO4 — CID 8833865

IUPAC(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C19H21NO4/c1-3-20(19(21)9-7-16-6-4-14(2)24-16)13-15-5-8-17-18(12-15)23-11-10-22-17/h4-9,12H,3,10-11,13H2,1-2H3/b9-7+
InChIKeyUYQSZQOMTABENM-VQHVLOKHSA-N
MW327.38 g/mol
LogP3.42
Rot. Bonds5

About (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 8833865) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID8833865
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C19H21NO4/c1-3-20(19(21)9-7-16-6-4-14(2)24-16)13-15-5-8-17-18(12-15)23-11-10-22-17/h4-9,12H,3,10-11,13H2,1-2H3/b9-7+
InChIKeyUYQSZQOMTABENM-VQHVLOKHSA-N
XLogP3.42
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide 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

3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide
CID 4681801
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516260
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylthiophene-2-carboxamide
CID 30480240
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
CID 75905221
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 25163178
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate
CID 74265991
(E)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46534299
N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 713006
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylbenzamide
CID 8752036
3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide
CID 76872023

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide (CID 8833865) is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(C)o1.
What is the InChIKey of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is UYQSZQOMTABENM-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-20(19(21)9-7-16-6-4-14(2)24-16)13-15-5-8-17-18(12-15)23-11-10-22-17/h4-9,12H,3,10-11,13H2,1-2H3/b9-7+.
What are the key properties of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 8833865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).