(2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide

C15H25NO3 — CID 88991078

IUPAC(2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide
SMILESCCCC/C=C/C(C)=C/C(=O)NCC1COCCO1
InChIInChI=1S/C15H25NO3/c1-3-4-5-6-7-13(2)10-15(17)16-11-14-12-18-8-9-19-14/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,16,17)/b7-6+,13-10+
InChIKeyMQFTUKCYZNZFQO-FCXQYMQBSA-N
MW267.37 g/mol
LogP2.21
Rot. Bonds7

About (2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide

(2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide (PubChem CID 88991078) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide
PubChem CID88991078
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide
SMILESCCCC/C=C/C(C)=C/C(=O)NCC1COCCO1
InChIInChI=1S/C15H25NO3/c1-3-4-5-6-7-13(2)10-15(17)16-11-14-12-18-8-9-19-14/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,16,17)/b7-6+,13-10+
InChIKeyMQFTUKCYZNZFQO-FCXQYMQBSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.21
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)-3-methylnona-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide (CID 88991078) is (2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide is CCCC/C=C/C(C)=C/C(=O)NCC1COCCO1.
What is the InChIKey of (2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide?
The InChIKey is MQFTUKCYZNZFQO-FCXQYMQBSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-4-5-6-7-13(2)10-15(17)16-11-14-12-18-8-9-19-14/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,16,17)/b7-6+,13-10+.
What are the key properties of (2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide?
(2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide has a molecular weight of 267.37 g/mol, XLogP of 2.21, 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)-3-methylnona-2,4-dienamide is sourced from PubChem (CID 88991078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).