N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C9H16BrNO2 — CID 115968521

IUPACN-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESC=C(Br)CNC(=O)COC(C)(C)C
InChIInChI=1S/C9H16BrNO2/c1-7(10)5-11-8(12)6-13-9(2,3)4/h1,5-6H2,2-4H3,(H,11,12)
InChIKeyLOOFHCOISIOMPC-UHFFFAOYSA-N
MW250.14 g/mol
LogP1.83
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115968521) has the molecular formula C9H16BrNO2 and a molecular weight of 250.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115968521
Molecular FormulaC9H16BrNO2
Molecular Weight250.14 g/mol
Exact Mass249.04
IUPAC NameN-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESC=C(Br)CNC(=O)COC(C)(C)C
InChIInChI=1S/C9H16BrNO2/c1-7(10)5-11-8(12)6-13-9(2,3)4/h1,5-6H2,2-4H3,(H,11,12)
InChIKeyLOOFHCOISIOMPC-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 58062415
N-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112605003
N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide
CID 115598615
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
N-(6-bromohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107847524
N-[2-(dimethylamino)-2-methylpropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604358
N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106843199
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712
tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate
CID 115614738
2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide
CID 112605102
N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605068

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115968521) is N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is C=C(Br)CNC(=O)COC(C)(C)C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is LOOFHCOISIOMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2/c1-7(10)5-11-8(12)6-13-9(2,3)4/h1,5-6H2,2-4H3,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 250.14 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115968521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).