(Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide

C13H23NO2 — CID 176555856

IUPAC(Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide
SMILESC=C(O)CCCCCN(CC)C(=O)/C=C\C
InChIInChI=1S/C13H23NO2/c1-4-9-13(16)14(5-2)11-8-6-7-10-12(3)15/h4,9,15H,3,5-8,10-11H2,1-2H3/b9-4-
InChIKeyCPEWJTHNVVVYKT-WTKPLQERSA-N
MW225.33 g/mol
LogP3.04
Rot. Bonds8

About (Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide

(Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide (PubChem CID 176555856) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide
PubChem CID176555856
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide
SMILESC=C(O)CCCCCN(CC)C(=O)/C=C\C
InChIInChI=1S/C13H23NO2/c1-4-9-13(16)14(5-2)11-8-6-7-10-12(3)15/h4,9,15H,3,5-8,10-11H2,1-2H3/b9-4-
InChIKeyCPEWJTHNVVVYKT-WTKPLQERSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide?
The IUPAC name of (Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide (CID 176555856) is (Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide?
The canonical SMILES for (Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide is C=C(O)CCCCCN(CC)C(=O)/C=C\C.
What is the InChIKey of (Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide?
The InChIKey is CPEWJTHNVVVYKT-WTKPLQERSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-9-13(16)14(5-2)11-8-6-7-10-12(3)15/h4,9,15H,3,5-8,10-11H2,1-2H3/b9-4-.
What are the key properties of (Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide?
(Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide has a molecular weight of 225.33 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide is sourced from PubChem (CID 176555856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).