(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

C19H19NO5 — CID 886983

IUPAC(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C19H19NO5/c1-22-15-6-3-13(11-17(15)23-2)4-8-19(21)20-14-5-7-16-18(12-14)25-10-9-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/b8-4+
InChIKeyWHLQBZVQJDKCCF-XBXARRHUSA-N
MW341.36 g/mol
LogP3.13
Rot. Bonds5

About (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 886983) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID886983
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C19H19NO5/c1-22-15-6-3-13(11-17(15)23-2)4-8-19(21)20-14-5-7-16-18(12-14)25-10-9-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/b8-4+
InChIKeyWHLQBZVQJDKCCF-XBXARRHUSA-N
XLogP3.13
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Amg-9810
CID 680502
Toborinone
CID 60790
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
N-[3-(4-hexyl-2-hydroxyphenoxy)phenyl]acetamide
CID 44450093
3-Carboxamido coumarin, 30
CID 797192
7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carboxylic Acid Phenethylamide
CID 11718456
7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide
CID 23555584
8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23555586
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl acetate
CID 3155160

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 886983) is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1OC.
What is the InChIKey of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is WHLQBZVQJDKCCF-XBXARRHUSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-15-6-3-13(11-17(15)23-2)4-8-19(21)20-14-5-7-16-18(12-14)25-10-9-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/b8-4+.
What are the key properties of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 341.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 886983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).