(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide

C15H27NO2 — CID 11357237

IUPAC(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
SMILESCC(C)=CCC[C@H](C)C/C=C(\C)C(=O)NCCO
InChIInChI=1S/C15H27NO2/c1-12(2)6-5-7-13(3)8-9-14(4)15(18)16-10-11-17/h6,9,13,17H,5,7-8,10-11H2,1-4H3,(H,16,18)/b14-9+/t13-/m0/s1
InChIKeyURBIJLIVEOCBDK-FYQHACEVSA-N
MW253.39 g/mol
LogP2.81
Rot. Bonds8

About (2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide

(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide (PubChem CID 11357237) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide.

Molecular Properties

Compound Name(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
PubChem CID11357237
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
SMILESCC(C)=CCC[C@H](C)C/C=C(\C)C(=O)NCCO
InChIInChI=1S/C15H27NO2/c1-12(2)6-5-7-13(3)8-9-14(4)15(18)16-10-11-17/h6,9,13,17H,5,7-8,10-11H2,1-4H3,(H,16,18)/b14-9+/t13-/m0/s1
InChIKeyURBIJLIVEOCBDK-FYQHACEVSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
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,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2,7,11-trimethyldodeca-2,4,10-trienoate
CID 54097352
ethyl N-[(3S)-3,7-dimethyloct-6-enyl]carbamate
CID 125470360
(4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene
CID 11299561
6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate
CID 86138659
(E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide
CID 130380848
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
CID 174687264
methyl (4Z)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 86733723
ethyl N-(4,8-dimethylnon-7-enyl)carbamate
CID 89346957
N-ethyl-3,7-dimethyloct-6-enamide
CID 91172474
(2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide
CID 44561506
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide?
The IUPAC name of (2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide (CID 11357237) is (2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide.
What is the SMILES notation for (2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide?
The canonical SMILES for (2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide is CC(C)=CCC[C@H](C)C/C=C(\C)C(=O)NCCO.
What is the InChIKey of (2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide?
The InChIKey is URBIJLIVEOCBDK-FYQHACEVSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(2)6-5-7-13(3)8-9-14(4)15(18)16-10-11-17/h6,9,13,17H,5,7-8,10-11H2,1-4H3,(H,16,18)/b14-9+/t13-/m0/s1.
What are the key properties of (2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide?
(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide has a molecular weight of 253.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide is sourced from PubChem (CID 11357237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).