(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide

C20H21NO4 — CID 2677564

IUPAC(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCCc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H21NO4/c1-23-17-4-2-3-15(13-17)6-8-20(22)21-10-9-16-5-7-18-19(14-16)25-12-11-24-18/h2-8,13-14H,9-12H2,1H3,(H,21,22)/b8-6+
InChIKeyBZEFAGDLHXJVMU-SOFGYWHQSA-N
MW339.39 g/mol
LogP2.84
Rot. Bonds6

About (E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 2677564) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID2677564
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCCc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H21NO4/c1-23-17-4-2-3-15(13-17)6-8-20(22)21-10-9-16-5-7-18-19(14-16)25-12-11-24-18/h2-8,13-14H,9-12H2,1H3,(H,21,22)/b8-6+
InChIKeyBZEFAGDLHXJVMU-SOFGYWHQSA-N
XLogP2.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7761215
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]but-2-enamide
CID 73010512
(E)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 7613519
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
(Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]prop-2-enamide
CID 134186866
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 17462318
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18163572
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266
3-(1,3-benzodioxol-5-yl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
CID 896900
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 86925143

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 2677564) is (E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NCCc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of (E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is BZEFAGDLHXJVMU-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H21NO4/c1-23-17-4-2-3-15(13-17)6-8-20(22)21-10-9-16-5-7-18-19(14-16)25-12-11-24-18/h2-8,13-14H,9-12H2,1H3,(H,21,22)/b8-6+.
What are the key properties of (E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 339.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2677564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).