2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide

C20H41NO3 — CID 178008516

IUPAC2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide
SMILESCC.CC(C)CC(C)C.CCC(=O)/C=C\C(=O)NC(C)(C)CCO
InChIInChI=1S/C11H19NO3.C7H16.C2H6/c1-4-9(14)5-6-10(15)12-11(2,3)7-8-13;1-6(2)5-7(3)4;1-2/h5-6,13H,4,7-8H2,1-3H3,(H,12,15);6-7H,5H2,1-4H3;1-2H3/b6-5-;;
InChIKeyAMPZQAHTVKXYJR-XNOMRPDFSA-N
MW343.55 g/mol
LogP4.51
Rot. Bonds8

About 2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide

2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide (PubChem CID 178008516) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is 2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide.

Molecular Properties

Compound Name2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide
PubChem CID178008516
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Name2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide
SMILESCC.CC(C)CC(C)C.CCC(=O)/C=C\C(=O)NC(C)(C)CCO
InChIInChI=1S/C11H19NO3.C7H16.C2H6/c1-4-9(14)5-6-10(15)12-11(2,3)7-8-13;1-6(2)5-7(3)4;1-2/h5-6,13H,4,7-8H2,1-3H3,(H,12,15);6-7H,5H2,1-4H3;1-2H3/b6-5-;;
InChIKeyAMPZQAHTVKXYJR-XNOMRPDFSA-N
XLogP4.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpentane;ethane;N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-4-oxohexanamide;(E)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide;2-methylpentane
CID 178008295
(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide
CID 167491092
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
(E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115968924
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875470
(E)-N-methyl-4-oxohex-2-enamide
CID 135176145
(E)-3-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115870200
N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 58875139
(E)-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-oxobut-2-enoic acid
CID 106167908
1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 115674453
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115968812
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
CID 113343229

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide?
The IUPAC name of 2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide (CID 178008516) is 2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide.
What is the SMILES notation for 2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide?
The canonical SMILES for 2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide is CC.CC(C)CC(C)C.CCC(=O)/C=C\C(=O)NC(C)(C)CCO.
What is the InChIKey of 2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide?
The InChIKey is AMPZQAHTVKXYJR-XNOMRPDFSA-N. The full InChI is InChI=1S/C11H19NO3.C7H16.C2H6/c1-4-9(14)5-6-10(15)12-11(2,3)7-8-13;1-6(2)5-7(3)4;1-2/h5-6,13H,4,7-8H2,1-3H3,(H,12,15);6-7H,5H2,1-4H3;1-2H3/b6-5-;;.
What are the key properties of 2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide?
2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide has a molecular weight of 343.55 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide is sourced from PubChem (CID 178008516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).