2-bromo-N,N-bis(2-ethylhexyl)acetamide

C18H36BrNO — CID 532879

IUPAC2-bromo-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CBr
InChIInChI=1S/C18H36BrNO/c1-5-9-11-16(7-3)14-20(18(21)13-19)15-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3
InChIKeyRDTFKQQQEZVEJP-UHFFFAOYSA-N
MW362.40 g/mol
LogP5.64
Rot. Bonds13

About 2-bromo-N,N-bis(2-ethylhexyl)acetamide

2-bromo-N,N-bis(2-ethylhexyl)acetamide (PubChem CID 532879) has the molecular formula C18H36BrNO and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-bromo-N,N-bis(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-bromo-N,N-bis(2-ethylhexyl)acetamide
PubChem CID532879
Molecular FormulaC18H36BrNO
Molecular Weight362.40 g/mol
Exact Mass361.20
IUPAC Name2-bromo-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CBr
InChIInChI=1S/C18H36BrNO/c1-5-9-11-16(7-3)14-20(18(21)13-19)15-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3
InChIKeyRDTFKQQQEZVEJP-UHFFFAOYSA-N
XLogP5.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-bis(2-ethylhexyl)acetamide?
The IUPAC name of 2-bromo-N,N-bis(2-ethylhexyl)acetamide (CID 532879) is 2-bromo-N,N-bis(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-bromo-N,N-bis(2-ethylhexyl)acetamide?
The canonical SMILES for 2-bromo-N,N-bis(2-ethylhexyl)acetamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)CBr.
What is the InChIKey of 2-bromo-N,N-bis(2-ethylhexyl)acetamide?
The InChIKey is RDTFKQQQEZVEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36BrNO/c1-5-9-11-16(7-3)14-20(18(21)13-19)15-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3.
What are the key properties of 2-bromo-N,N-bis(2-ethylhexyl)acetamide?
2-bromo-N,N-bis(2-ethylhexyl)acetamide has a molecular weight of 362.40 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-bis(2-ethylhexyl)acetamide is sourced from PubChem (CID 532879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).