ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide

C11H23NO2 — CID 144735486

IUPACethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NC(C)(C)CO.CC
InChIInChI=1S/C9H17NO2.C2H6/c1-5-7(2)8(12)10-9(3,4)6-11;1-2/h5,11H,6H2,1-4H3,(H,10,12);1-2H3/b7-5+;
InChIKeyBDBPGOLFKFGZMH-GZOLSCHFSA-N
MW201.31 g/mol
LogP1.87
Rot. Bonds3

About ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide

ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide (PubChem CID 144735486) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide.

Molecular Properties

Compound Nameethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide
PubChem CID144735486
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NC(C)(C)CO.CC
InChIInChI=1S/C9H17NO2.C2H6/c1-5-7(2)8(12)10-9(3,4)6-11;1-2/h5,11H,6H2,1-4H3,(H,10,12);1-2H3/b7-5+;
InChIKeyBDBPGOLFKFGZMH-GZOLSCHFSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propenamide, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-2-methyl-
CID 6452178
N-(1-Hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
CID 19357498
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
CID 19357482
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylprop-2-enamide
CID 19357492
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylprop-2-enamide
CID 20603688
(2E,4E)-N-(1-hydroxy-2-methylpropan-2-yl)hexa-2,4-dienamide
CID 43500937
N-(1-hydroxy-2-methylpropan-2-yl)hexa-2,4-dienamide
CID 74876359
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]but-2-enamide
CID 87077819
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol
CID 87282894
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide
CID 87711694
(E)-3-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
CID 117652364
(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide
CID 117662388

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide?
The IUPAC name of ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide (CID 144735486) is ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide.
What is the SMILES notation for ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide?
The canonical SMILES for ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide is C/C=C(\C)C(=O)NC(C)(C)CO.CC.
What is the InChIKey of ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide?
The InChIKey is BDBPGOLFKFGZMH-GZOLSCHFSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-5-7(2)8(12)10-9(3,4)6-11;1-2/h5,11H,6H2,1-4H3,(H,10,12);1-2H3/b7-5+;.
What are the key properties of ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide?
ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide has a molecular weight of 201.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide is sourced from PubChem (CID 144735486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).