(2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide

C13H23NO2 — CID 134943107

IUPAC(2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide
SMILESC=C(C)[C@H](/C=C/C(=O)N(CC)CC)[C@H](C)O
InChIInChI=1S/C13H23NO2/c1-6-14(7-2)13(16)9-8-12(10(3)4)11(5)15/h8-9,11-12,15H,3,6-7H2,1-2,4-5H3/b9-8+/t11-,12-/m0/s1
InChIKeyZAZNNBLILJSPQU-OMJLJAAMSA-N
MW225.33 g/mol
LogP1.98
Rot. Bonds6

About (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide

(2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide (PubChem CID 134943107) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide.

Molecular Properties

Compound Name(2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide
PubChem CID134943107
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide
SMILESC=C(C)[C@H](/C=C/C(=O)N(CC)CC)[C@H](C)O
InChIInChI=1S/C13H23NO2/c1-6-14(7-2)13(16)9-8-12(10(3)4)11(5)15/h8-9,11-12,15H,3,6-7H2,1-2,4-5H3/b9-8+/t11-,12-/m0/s1
InChIKeyZAZNNBLILJSPQU-OMJLJAAMSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide?
The IUPAC name of (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide (CID 134943107) is (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide.
What is the SMILES notation for (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide?
The canonical SMILES for (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide is C=C(C)[C@H](/C=C/C(=O)N(CC)CC)[C@H](C)O.
What is the InChIKey of (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide?
The InChIKey is ZAZNNBLILJSPQU-OMJLJAAMSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-14(7-2)13(16)9-8-12(10(3)4)11(5)15/h8-9,11-12,15H,3,6-7H2,1-2,4-5H3/b9-8+/t11-,12-/m0/s1.
What are the key properties of (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide?
(2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide has a molecular weight of 225.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S)-N,N-diethyl-4-[(1S)-1-hydroxyethyl]-5-methylhexa-2,5-dienamide is sourced from PubChem (CID 134943107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).