N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide

C12H21NO2 — CID 79381146

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C12H21NO2/c1-5-7-8-9-11(14)13(6-2)10-12(3,4)15/h5,7-9,15H,6,10H2,1-4H3
InChIKeyRTNTUMRZYOSELG-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.74
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide (PubChem CID 79381146) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide
PubChem CID79381146
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(CC)CC(C)(C)O
InChIInChI=1S/C12H21NO2/c1-5-7-8-9-11(14)13(6-2)10-12(3,4)15/h5,7-9,15H,6,10H2,1-4H3
InChIKeyRTNTUMRZYOSELG-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 79381969
3-(5-bromothiophen-2-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 79380946
N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 78802720
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide
CID 79381166
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-oxopropanoic acid
CID 79385431
(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide
CID 110481075
2-[(2-amino-2-oxoethyl)-hexa-2,4-dienoylamino]acetic acid
CID 107433897
N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741540
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387562
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
CID 107032116
3-[ethyl(hexa-2,4-dienoyl)amino]butanoic acid
CID 76950051
2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79377312

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide (CID 79381146) is N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide is CC=CC=CC(=O)N(CC)CC(C)(C)O.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide?
The InChIKey is RTNTUMRZYOSELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-7-8-9-11(14)13(6-2)10-12(3,4)15/h5,7-9,15H,6,10H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide has a molecular weight of 211.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide is sourced from PubChem (CID 79381146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).