N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide

C10H20BrNO2 — CID 112604192

IUPACN-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide
SMILESCC(CCCBr)NC(=O)COC(C)C
InChIInChI=1S/C10H20BrNO2/c1-8(2)14-7-10(13)12-9(3)5-4-6-11/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyWOJHVBXVRWNGNH-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.09
Rot. Bonds7

About N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide

N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide (PubChem CID 112604192) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide
PubChem CID112604192
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC NameN-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide
SMILESCC(CCCBr)NC(=O)COC(C)C
InChIInChI=1S/C10H20BrNO2/c1-8(2)14-7-10(13)12-9(3)5-4-6-11/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyWOJHVBXVRWNGNH-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-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide
CID 112604224
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831
N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212563
N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide
CID 115661966
N-(5-bromopentan-2-yl)butanamide
CID 114316345
N-pent-4-en-2-yl-2-propan-2-yloxyacetamide
CID 115631361
N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide
CID 112695628
N'-methyl-2-propan-2-yloxyacetohydrazide
CID 116820653
N-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
(2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid
CID 107144537
N-(1-methoxy-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 112692857
N-[(2R)-hexan-2-yl]-2-methoxyacetamide
CID 24773041

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide (CID 112604192) is N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide is CC(CCCBr)NC(=O)COC(C)C.
What is the InChIKey of N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide?
The InChIKey is WOJHVBXVRWNGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-8(2)14-7-10(13)12-9(3)5-4-6-11/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide?
N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide 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-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112604192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).