2,2,2-tribromo-N-(3-ethoxypropyl)acetamide

C7H12Br3NO2 — CID 20741094

IUPAC2,2,2-tribromo-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)C(Br)(Br)Br
InChIInChI=1S/C7H12Br3NO2/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyBXLAPBGHWUBFGS-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.37
Rot. Bonds5

About 2,2,2-tribromo-N-(3-ethoxypropyl)acetamide

2,2,2-tribromo-N-(3-ethoxypropyl)acetamide (PubChem CID 20741094) has the molecular formula C7H12Br3NO2 and a molecular weight of 381.89 g/mol. Its IUPAC name is 2,2,2-tribromo-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2,2,2-tribromo-N-(3-ethoxypropyl)acetamide
PubChem CID20741094
Molecular FormulaC7H12Br3NO2
Molecular Weight381.89 g/mol
Exact Mass378.84
IUPAC Name2,2,2-tribromo-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)C(Br)(Br)Br
InChIInChI=1S/C7H12Br3NO2/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyBXLAPBGHWUBFGS-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682
2-amino-N-(3-ethoxypropyl)-2-methylpentanamide
CID 60848573
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
3-(3-ethoxypropylamino)-3-oxopropanoic acid
CID 62232046
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tribromo-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2,2,2-tribromo-N-(3-ethoxypropyl)acetamide (CID 20741094) is 2,2,2-tribromo-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2,2,2-tribromo-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2,2,2-tribromo-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromo-N-(3-ethoxypropyl)acetamide?
The InChIKey is BXLAPBGHWUBFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Br3NO2/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12).
What are the key properties of 2,2,2-tribromo-N-(3-ethoxypropyl)acetamide?
2,2,2-tribromo-N-(3-ethoxypropyl)acetamide has a molecular weight of 381.89 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromo-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 20741094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).