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

C19H38BrNO — CID 533071

IUPAC2-bromo-N,N-bis(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)Br
InChIInChI=1S/C19H38BrNO/c1-6-10-12-17(8-3)14-21(19(22)16(5)20)15-18(9-4)13-11-7-2/h16-18H,6-15H2,1-5H3
InChIKeyUJEAGNRTIMDECU-UHFFFAOYSA-N
MW376.42 g/mol
LogP6.03
Rot. Bonds13

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

2-bromo-N,N-bis(2-ethylhexyl)propanamide (PubChem CID 533071) has the molecular formula C19H38BrNO and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-bromo-N,N-bis(2-ethylhexyl)propanamide.

Molecular Properties

Compound Name2-bromo-N,N-bis(2-ethylhexyl)propanamide
PubChem CID533071
Molecular FormulaC19H38BrNO
Molecular Weight376.42 g/mol
Exact Mass375.21
IUPAC Name2-bromo-N,N-bis(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)Br
InChIInChI=1S/C19H38BrNO/c1-6-10-12-17(8-3)14-21(19(22)16(5)20)15-18(9-4)13-11-7-2/h16-18H,6-15H2,1-5H3
InChIKeyUJEAGNRTIMDECU-UHFFFAOYSA-N
XLogP6.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 56.03
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)propanamide?
The IUPAC name of 2-bromo-N,N-bis(2-ethylhexyl)propanamide (CID 533071) is 2-bromo-N,N-bis(2-ethylhexyl)propanamide.
What is the SMILES notation for 2-bromo-N,N-bis(2-ethylhexyl)propanamide?
The canonical SMILES for 2-bromo-N,N-bis(2-ethylhexyl)propanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)Br.
What is the InChIKey of 2-bromo-N,N-bis(2-ethylhexyl)propanamide?
The InChIKey is UJEAGNRTIMDECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38BrNO/c1-6-10-12-17(8-3)14-21(19(22)16(5)20)15-18(9-4)13-11-7-2/h16-18H,6-15H2,1-5H3.
What are the key properties of 2-bromo-N,N-bis(2-ethylhexyl)propanamide?
2-bromo-N,N-bis(2-ethylhexyl)propanamide has a molecular weight of 376.42 g/mol, XLogP of 6.03, 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)propanamide is sourced from PubChem (CID 533071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).