5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide

C9H17BrN2O2 — CID 107907997

IUPAC5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
SMILESCN(C)C(=O)CNC(=O)CCCCBr
InChIInChI=1S/C9H17BrN2O2/c1-12(2)9(14)7-11-8(13)5-3-4-6-10/h3-7H2,1-2H3,(H,11,13)
InChIKeyOQKJOPICBOSQAF-UHFFFAOYSA-N
MW265.15 g/mol
LogP0.76
Rot. Bonds6

About 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide

5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide (PubChem CID 107907997) has the molecular formula C9H17BrN2O2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
PubChem CID107907997
Molecular FormulaC9H17BrN2O2
Molecular Weight265.15 g/mol
Exact Mass264.05
IUPAC Name5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
SMILESCN(C)C(=O)CNC(=O)CCCCBr
InChIInChI=1S/C9H17BrN2O2/c1-12(2)9(14)7-11-8(13)5-3-4-6-10/h3-7H2,1-2H3,(H,11,13)
InChIKeyOQKJOPICBOSQAF-UHFFFAOYSA-N
XLogP0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 50.76
H-Bond Donors ≤ 51
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

5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypropanamide
CID 20719167
2-(6-bromohexanoylamino)acetic acid
CID 18934957
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
5-bromo-N-[(E)-pent-3-enyl]pentanamide
CID 107910578
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
5-bromo-N-methylpentanamide
CID 19971018
N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide
CID 9480707
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 107910275
[4-[[2-(dimethylamino)-2-oxoethyl]amino]-2,4-dioxobutanoyl]-trimethylazanium
CID 90239142
N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide
CID 166884703
5-bromo-N-(3-methylsulfanylbutyl)pentanamide
CID 107910619

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide (CID 107907997) is 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide is CN(C)C(=O)CNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide?
The InChIKey is OQKJOPICBOSQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O2/c1-12(2)9(14)7-11-8(13)5-3-4-6-10/h3-7H2,1-2H3,(H,11,13).
What are the key properties of 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide?
5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide has a molecular weight of 265.15 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 107907997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).