(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide

C19H19NO4 — CID 30839842

IUPAC(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCO3)c(OC)c1
InChIInChI=1S/C19H19NO4/c1-22-16-6-3-13(18(12-16)23-2)4-8-19(21)20-15-5-7-17-14(11-15)9-10-24-17/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/b8-4+
InChIKeyZWQOTFSPKBVWMH-XBXARRHUSA-N
MW325.36 g/mol
LogP3.29
Rot. Bonds5

About (E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide

(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 30839842) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
PubChem CID30839842
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCO3)c(OC)c1
InChIInChI=1S/C19H19NO4/c1-22-16-6-3-13(18(12-16)23-2)4-8-19(21)20-15-5-7-17-14(11-15)9-10-24-17/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/b8-4+
InChIKeyZWQOTFSPKBVWMH-XBXARRHUSA-N
XLogP3.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.29
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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 732712
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 7749728
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
(E)-N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55532975
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3516334
3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 29331459
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 17491868
N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide
CID 33027219
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 5340533
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2085926
(E)-3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55342789

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide (CID 30839842) is (E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCO3)c(OC)c1.
What is the InChIKey of (E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is ZWQOTFSPKBVWMH-XBXARRHUSA-N. The full InChI is InChI=1S/C19H19NO4/c1-22-16-6-3-13(18(12-16)23-2)4-8-19(21)20-15-5-7-17-14(11-15)9-10-24-17/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-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 325.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 30839842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).