N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H24BrNO2 — CID 112603989

IUPACN-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCCCN(CCBr)C(=O)COC(C)(C)C
InChIInChI=1S/C12H24BrNO2/c1-5-6-8-14(9-7-13)11(15)10-16-12(2,3)4/h5-10H2,1-4H3
InChIKeyOVCIXPZPZZKRJT-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.83
Rot. Bonds7

About N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112603989) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112603989
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC NameN-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCCCN(CCBr)C(=O)COC(C)(C)C
InChIInChI=1S/C12H24BrNO2/c1-5-6-8-14(9-7-13)11(15)10-16-12(2,3)4/h5-10H2,1-4H3
InChIKeyOVCIXPZPZZKRJT-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112603989) is N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide is CCCCN(CCBr)C(=O)COC(C)(C)C.
What is the InChIKey of N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is OVCIXPZPZZKRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-5-6-8-14(9-7-13)11(15)10-16-12(2,3)4/h5-10H2,1-4H3.
What are the key properties of N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 294.23 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112603989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).