2-bromo-N,N-bis(2-ethoxyethyl)butanamide

C12H24BrNO3 — CID 82966254

IUPAC2-bromo-N,N-bis(2-ethoxyethyl)butanamide
SMILESCCOCCN(CCOCC)C(=O)C(Br)CC
InChIInChI=1S/C12H24BrNO3/c1-4-11(13)12(15)14(7-9-16-5-2)8-10-17-6-3/h11H,4-10H2,1-3H3
InChIKeyVWAIMPBJFQBNMB-UHFFFAOYSA-N
MW310.23 g/mol
LogP2.06
Rot. Bonds10

About 2-bromo-N,N-bis(2-ethoxyethyl)butanamide

2-bromo-N,N-bis(2-ethoxyethyl)butanamide (PubChem CID 82966254) has the molecular formula C12H24BrNO3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-bromo-N,N-bis(2-ethoxyethyl)butanamide.

Molecular Properties

Compound Name2-bromo-N,N-bis(2-ethoxyethyl)butanamide
PubChem CID82966254
Molecular FormulaC12H24BrNO3
Molecular Weight310.23 g/mol
Exact Mass309.09
IUPAC Name2-bromo-N,N-bis(2-ethoxyethyl)butanamide
SMILESCCOCCN(CCOCC)C(=O)C(Br)CC
InChIInChI=1S/C12H24BrNO3/c1-4-11(13)12(15)14(7-9-16-5-2)8-10-17-6-3/h11H,4-10H2,1-3H3
InChIKeyVWAIMPBJFQBNMB-UHFFFAOYSA-N
XLogP2.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
3-amino-N,N-bis(2-ethoxyethyl)pentanamide
CID 82966276
N,N-bis(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 82952265
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylbutanamide
CID 79013546
2-bromo-N-(2-methoxyethyl)-N-methylbutanamide
CID 62854357
2-methyl-N,N-bis(2-propoxyethyl)butanamide
CID 59687724
4-[bis(2-ethoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 82965179
(2S)-2-bromo-N,N-dimethylbutanamide
CID 92939009
N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 82938492
2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
CID 82960088

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-bis(2-ethoxyethyl)butanamide?
The IUPAC name of 2-bromo-N,N-bis(2-ethoxyethyl)butanamide (CID 82966254) is 2-bromo-N,N-bis(2-ethoxyethyl)butanamide.
What is the SMILES notation for 2-bromo-N,N-bis(2-ethoxyethyl)butanamide?
The canonical SMILES for 2-bromo-N,N-bis(2-ethoxyethyl)butanamide is CCOCCN(CCOCC)C(=O)C(Br)CC.
What is the InChIKey of 2-bromo-N,N-bis(2-ethoxyethyl)butanamide?
The InChIKey is VWAIMPBJFQBNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO3/c1-4-11(13)12(15)14(7-9-16-5-2)8-10-17-6-3/h11H,4-10H2,1-3H3.
What are the key properties of 2-bromo-N,N-bis(2-ethoxyethyl)butanamide?
2-bromo-N,N-bis(2-ethoxyethyl)butanamide has a molecular weight of 310.23 g/mol, XLogP of 2.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-bis(2-ethoxyethyl)butanamide is sourced from PubChem (CID 82966254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).