(2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide

C14H23NO3 — CID 88990990

IUPAC(2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C=C/C(=O)NCC1COCCO1
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-14(16)15-11-13-12-17-9-10-18-13/h5-8,13H,2-4,9-12H2,1H3,(H,15,16)/b6-5+,8-7+
InChIKeyZECKFWBXIVTIDW-BSWSSELBSA-N
MW253.34 g/mol
LogP1.82
Rot. Bonds7

About (2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide

(2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide (PubChem CID 88990990) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide
PubChem CID88990990
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C=C/C(=O)NCC1COCCO1
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-14(16)15-11-13-12-17-9-10-18-13/h5-8,13H,2-4,9-12H2,1H3,(H,15,16)/b6-5+,8-7+
InChIKeyZECKFWBXIVTIDW-BSWSSELBSA-N
XLogP1.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide (CID 88990990) is (2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide is CCCC/C=C/C=C/C(=O)NCC1COCCO1.
What is the InChIKey of (2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide?
The InChIKey is ZECKFWBXIVTIDW-BSWSSELBSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-14(16)15-11-13-12-17-9-10-18-13/h5-8,13H,2-4,9-12H2,1H3,(H,15,16)/b6-5+,8-7+.
What are the key properties of (2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide?
(2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide has a molecular weight of 253.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide is sourced from PubChem (CID 88990990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).