(2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide

C19H17NO3 — CID 26664579

IUPAC(2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C19H17NO3/c1-3-4-5-10-19(21)20-15-12-17-14(11-18(15)22-2)13-8-6-7-9-16(13)23-17/h3-12H,1-2H3,(H,20,21)/b4-3+,10-5+
InChIKeyYVLHXHHJZGUZGY-COBAKMAKSA-N
MW307.35 g/mol
LogP4.67
Rot. Bonds4

About (2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide

(2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide (PubChem CID 26664579) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide
PubChem CID26664579
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C19H17NO3/c1-3-4-5-10-19(21)20-15-12-17-14(11-18(15)22-2)13-8-6-7-9-16(13)23-17/h3-12H,1-2H3,(H,20,21)/b4-3+,10-5+
InChIKeyYVLHXHHJZGUZGY-COBAKMAKSA-N
XLogP4.67
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide (CID 26664579) is (2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1cc2oc3ccccc3c2cc1OC.
What is the InChIKey of (2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide?
The InChIKey is YVLHXHHJZGUZGY-COBAKMAKSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-4-5-10-19(21)20-15-12-17-14(11-18(15)22-2)13-8-6-7-9-16(13)23-17/h3-12H,1-2H3,(H,20,21)/b4-3+,10-5+.
What are the key properties of (2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide?
(2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide has a molecular weight of 307.35 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide is sourced from PubChem (CID 26664579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).