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

C18H29NO3 — CID 142233830

IUPAC(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane
SMILESC/C=C\C=C/C=C/C(=O)N(C=O)C1CCC(O)CC1.CCC
InChIInChI=1S/C15H21NO3.C3H8/c1-2-3-4-5-6-7-15(19)16(12-17)13-8-10-14(18)11-9-13;1-3-2/h2-7,12-14,18H,8-11H2,1H3;3H2,1-2H3/b3-2-,5-4-,7-6+;
InChIKeyBBTSHFNZXLDYFV-YYHBFTBXSA-N
MW307.43 g/mol
LogP3.38
Rot. Bonds5

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

(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane (PubChem CID 142233830) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane.

Molecular Properties

Compound Name(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane
PubChem CID142233830
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane
SMILESC/C=C\C=C/C=C/C(=O)N(C=O)C1CCC(O)CC1.CCC
InChIInChI=1S/C15H21NO3.C3H8/c1-2-3-4-5-6-7-15(19)16(12-17)13-8-10-14(18)11-9-13;1-3-2/h2-7,12-14,18H,8-11H2,1H3;3H2,1-2H3/b3-2-,5-4-,7-6+;
InChIKeyBBTSHFNZXLDYFV-YYHBFTBXSA-N
XLogP3.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.38
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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Related Compounds

1-(4-Hydroxycyclohexyl)pyrrole-2,5-dione
CID 43198820
1-(4-Hydroxycyclohexyl)azonine-2,9-dione
CID 123873038
N-(4-Hydroxycyclohexyl)-N-methylprop-2-enamide
CID 137928740
1-(4-Hydroxycyclohexyl)-3-methyl-1H-pyrrole-2,5-dione
CID 43346034
(2E,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide
CID 43389279
N-(4-hydroxycyclohexyl)hexa-2,4-dienamide
CID 74880394
1-(4-Hydroxycyclohexyl)pyridin-2-one
CID 84014541
(2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide
CID 99891210
(E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide
CID 102631755
N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide
CID 102635038
(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide
CID 142233831

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane?
The IUPAC name of (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane (CID 142233830) is (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane.
What is the SMILES notation for (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane?
The canonical SMILES for (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane is C/C=C\C=C/C=C/C(=O)N(C=O)C1CCC(O)CC1.CCC.
What is the InChIKey of (2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane?
The InChIKey is BBTSHFNZXLDYFV-YYHBFTBXSA-N. The full InChI is InChI=1S/C15H21NO3.C3H8/c1-2-3-4-5-6-7-15(19)16(12-17)13-8-10-14(18)11-9-13;1-3-2/h2-7,12-14,18H,8-11H2,1H3;3H2,1-2H3/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;propane?
(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane has a molecular weight of 307.43 g/mol, XLogP of 3.38, 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;propane is sourced from PubChem (CID 142233830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).