2-bromo-N-(2-ethylhexyl)propanamide

C11H22BrNO — CID 82109337

IUPAC2-bromo-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)C(C)Br
InChIInChI=1S/C11H22BrNO/c1-4-6-7-10(5-2)8-13-11(14)9(3)12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyURWLPGUBBYPVPD-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.10
Rot. Bonds7

About 2-bromo-N-(2-ethylhexyl)propanamide

2-bromo-N-(2-ethylhexyl)propanamide (PubChem CID 82109337) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-bromo-N-(2-ethylhexyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethylhexyl)propanamide
PubChem CID82109337
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name2-bromo-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)C(C)Br
InChIInChI=1S/C11H22BrNO/c1-4-6-7-10(5-2)8-13-11(14)9(3)12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyURWLPGUBBYPVPD-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-ethylhexyl)butanamide
CID 62854370
(2S)-2-acetamido-N-(2-ethylhexyl)propanamide
CID 156690182
(2S)-2-acetamido-N-[(2S)-1-(2-ethylhexylamino)-1-oxopropan-2-yl]propanamide
CID 142590934
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
1-[(2R)-2-ethylhexyl]-3-prop-2-ynylurea
CID 97027505
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
CID 175143259
N-(2-ethylhexyl)-2-hydroxy-2-methylpropanamide
CID 104936564
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
2-bromo-N-(2-methylpropyl)hexanamide
CID 110839076

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethylhexyl)propanamide?
The IUPAC name of 2-bromo-N-(2-ethylhexyl)propanamide (CID 82109337) is 2-bromo-N-(2-ethylhexyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-ethylhexyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-ethylhexyl)propanamide is CCCCC(CC)CNC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-(2-ethylhexyl)propanamide?
The InChIKey is URWLPGUBBYPVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-4-6-7-10(5-2)8-13-11(14)9(3)12/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-ethylhexyl)propanamide?
2-bromo-N-(2-ethylhexyl)propanamide has a molecular weight of 264.21 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethylhexyl)propanamide is sourced from PubChem (CID 82109337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).