N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H24BrNO2 — CID 107205909

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

About N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 107205909) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID107205909
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC NameN-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN(CCCCCBr)C(=O)COC(C)(C)C
InChIInChI=1S/C12H24BrNO2/c1-12(2,3)16-10-11(15)14(4)9-7-5-6-8-13/h5-10H2,1-4H3
InChIKeyKBSPNIXGEVJRSU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604773
ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate
CID 112603597
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 12636379
N,N-dimethyl-2-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112604801
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603989
N-(6-bromohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107847524
tert-butyl N-(6-bromohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10738534
3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834
N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide
CID 58870383

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 107205909) is N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is CN(CCCCCBr)C(=O)COC(C)(C)C.
What is the InChIKey of N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is KBSPNIXGEVJRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-12(2,3)16-10-11(15)14(4)9-7-5-6-8-13/h5-10H2,1-4H3.
What are the key properties of N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(5-bromopentyl)-N-methyl-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-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 107205909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).