(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide

C15H21NO3 — CID 142233831

IUPAC(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide
SMILESC/C=C\C=C/C=C/C(=O)N(C=O)C1CCC(O)CC1
InChIInChI=1S/C15H21NO3/c1-2-3-4-5-6-7-15(19)16(12-17)13-8-10-14(18)11-9-13/h2-7,12-14,18H,8-11H2,1H3/b3-2-,5-4-,7-6+
InChIKeyINWXDNLTOJRCIY-MUVPYGFYSA-N
MW263.34 g/mol
LogP1.96
Rot. Bonds5

About (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide

(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide (PubChem CID 142233831) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide
PubChem CID142233831
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide
SMILESC/C=C\C=C/C=C/C(=O)N(C=O)C1CCC(O)CC1
InChIInChI=1S/C15H21NO3/c1-2-3-4-5-6-7-15(19)16(12-17)13-8-10-14(18)11-9-13/h2-7,12-14,18H,8-11H2,1H3/b3-2-,5-4-,7-6+
InChIKeyINWXDNLTOJRCIY-MUVPYGFYSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide?
The IUPAC name of (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide (CID 142233831) is (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide.
What is the SMILES notation for (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide?
The canonical SMILES for (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide is C/C=C\C=C/C=C/C(=O)N(C=O)C1CCC(O)CC1.
What is the InChIKey of (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide?
The InChIKey is INWXDNLTOJRCIY-MUVPYGFYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-4-5-6-7-15(19)16(12-17)13-8-10-14(18)11-9-13/h2-7,12-14,18H,8-11H2,1H3/b3-2-,5-4-,7-6+.
What are the key properties of (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide?
(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide has a molecular weight of 263.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide is sourced from PubChem (CID 142233831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).