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

C15H27NO2 — CID 23251855

IUPAC(2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
SMILESCC(C)=CCCC(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+
InChIKeyURBIJLIVEOCBDK-NTEUORMPSA-N
MW253.39 g/mol
LogP2.81
Rot. Bonds8

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

(2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide (PubChem CID 23251855) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide.

Molecular Properties

Compound Name(2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
PubChem CID23251855
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
SMILESCC(C)=CCCC(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+
InChIKeyURBIJLIVEOCBDK-NTEUORMPSA-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'}

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Related Compounds

Semiplenamide A
CID 10384247
N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide
CID 85128014
Asenjonamide A
CID 139589507
N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide
CID 162816227
(3S,4R)-3-ethyl-4-fluoro-N-(2-hydroxyethyl)cyclohexa-1,5-diene-1-carboxamide
CID 167046954
6-ethyl-3-fluoro-N-(2-hydroxyethyl)cyclohepta-1,3,6-triene-1-carboxamide
CID 167046965
(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 11368442
(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 139189970
(S,E)-N-(1-hydroxypropan-2-yl)-2-methyldec-2-enamide
CID 177896835
(E)-N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide
CID 169492729
(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237
(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide
CID 11436615

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide?
The IUPAC name of (2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide (CID 23251855) is (2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide.
What is the SMILES notation for (2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide?
The canonical SMILES for (2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide is CC(C)=CCCC(C)C/C=C(\C)C(=O)NCCO.
What is the InChIKey of (2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide?
The InChIKey is URBIJLIVEOCBDK-NTEUORMPSA-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+.
What are the key properties of (2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide?
(2E)-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)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide is sourced from PubChem (CID 23251855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).