5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide

C13H26BrNO — CID 107908425

IUPAC5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide
SMILESCCC(CC)CN(CC)C(=O)CCCCBr
InChIInChI=1S/C13H26BrNO/c1-4-12(5-2)11-15(6-3)13(16)9-7-8-10-14/h12H,4-11H2,1-3H3
InChIKeyKAXXMTLWWWXVSP-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.84
Rot. Bonds9

About 5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide

5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide (PubChem CID 107908425) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide
PubChem CID107908425
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide
SMILESCCC(CC)CN(CC)C(=O)CCCCBr
InChIInChI=1S/C13H26BrNO/c1-4-12(5-2)11-15(6-3)13(16)9-7-8-10-14/h12H,4-11H2,1-3H3
InChIKeyKAXXMTLWWWXVSP-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N-diethylpentanamide
CID 11459002
6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid
CID 43588237
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
N,N,N',N'-tetraethyl-5-oxononanediamide
CID 24828551
5-amino-N-ethyl-N-(2-ethylbutyl)-4-methylpentanamide
CID 82011557
1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea
CID 115589057
5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470392
5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide
CID 107909937
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
6-bromo-N,N-dioctylhexanamide
CID 533338
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
CID 107910746
bromozinc(1+);N,N-diethylpentanamide
CID 134897619

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide (CID 107908425) is 5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide is CCC(CC)CN(CC)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide?
The InChIKey is KAXXMTLWWWXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-4-12(5-2)11-15(6-3)13(16)9-7-8-10-14/h12H,4-11H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide?
5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide has a molecular weight of 292.26 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide is sourced from PubChem (CID 107908425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).