5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide

C11H20BrNO2 — CID 107910751

IUPAC5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
SMILESC=CCN(CCOC)C(=O)CCCCBr
InChIInChI=1S/C11H20BrNO2/c1-3-8-13(9-10-15-2)11(14)6-4-5-7-12/h3H,1,4-10H2,2H3
InChIKeyAGBZJBLCQYMJCC-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.21
Rot. Bonds9

About 5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide

5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide (PubChem CID 107910751) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
PubChem CID107910751
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
SMILESC=CCN(CCOC)C(=O)CCCCBr
InChIInChI=1S/C11H20BrNO2/c1-3-8-13(9-10-15-2)11(14)6-4-5-7-12/h3H,1,4-10H2,2H3
InChIKeyAGBZJBLCQYMJCC-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338694
3-amino-N-(2-methoxyethyl)-3-methyl-N-prop-2-enylbutanamide
CID 103338897
5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 103338494
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103516152
5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
CID 107909884
4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
CID 115775753
3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide
CID 103338776
2-amino-N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 103338789
3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338592
5-bromo-N,N-diethylpentanamide
CID 11459002

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide (CID 107910751) is 5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide is C=CCN(CCOC)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide?
The InChIKey is AGBZJBLCQYMJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-3-8-13(9-10-15-2)11(14)6-4-5-7-12/h3H,1,4-10H2,2H3.
What are the key properties of 5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide?
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide has a molecular weight of 278.19 g/mol, XLogP of 2.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide is sourced from PubChem (CID 107910751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).