N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide

C10H20BrNO2 — CID 106168973

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C)(CC)CCBr
InChIInChI=1S/C10H20BrNO2/c1-4-10(3,6-7-11)12-9(13)8-14-5-2/h4-8H2,1-3H3,(H,12,13)
InChIKeyBLHYLRMXVUYWOD-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.09
Rot. Bonds7

About N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide

N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide (PubChem CID 106168973) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide
PubChem CID106168973
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C)(CC)CCBr
InChIInChI=1S/C10H20BrNO2/c1-4-10(3,6-7-11)12-9(13)8-14-5-2/h4-8H2,1-3H3,(H,12,13)
InChIKeyBLHYLRMXVUYWOD-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212538
N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212548
N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212765
N-(3-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212781
N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106169723
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 107867974
2-ethoxy-N-(2-methylbutan-2-yl)acetamide
CID 60654713
2-(2-amino-2-ethylbutoxy)-N-(2-methylbutan-2-yl)acetamide
CID 64573354
N-(3-ethylpentan-3-yl)-2-methoxyacetamide
CID 65042824
2-ethoxy-N-(3-ethylpentan-3-yl)acetamide
CID 65042924
N-(1,3-dibromo-2-methylpropan-2-yl)-2-ethoxyacetamide
CID 81967655
N-(3-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943141

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide (CID 106168973) is N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide is CCOCC(=O)NC(C)(CC)CCBr.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide?
The InChIKey is BLHYLRMXVUYWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-4-10(3,6-7-11)12-9(13)8-14-5-2/h4-8H2,1-3H3,(H,12,13).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide?
N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide has a molecular weight of 266.18 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide is sourced from PubChem (CID 106168973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).