2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide

C11H15BrN2O2 — CID 114327859

IUPAC2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
SMILESCCOc1ncccc1NC(=O)C(C)(C)Br
InChIInChI=1S/C11H15BrN2O2/c1-4-16-9-8(6-5-7-13-9)14-10(15)11(2,3)12/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyFAEWTDNFQPYZQR-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.59
Rot. Bonds4

About 2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide

2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide (PubChem CID 114327859) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
PubChem CID114327859
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
SMILESCCOc1ncccc1NC(=O)C(C)(C)Br
InChIInChI=1S/C11H15BrN2O2/c1-4-16-9-8(6-5-7-13-9)14-10(15)11(2,3)12/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyFAEWTDNFQPYZQR-UHFFFAOYSA-N
XLogP2.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
CID 79809690
N-(2-ethoxy-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 79196186
1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 65467015
(2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide
CID 34958124
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide
CID 114371185
5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958257
N-(2-ethoxy-3-pyridinyl)thiophene-3-carboxamide
CID 34879256
2-[2-(aminomethyl)phenyl]-N-(2-ethoxy-3-pyridinyl)acetamide
CID 81311348
2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide
CID 43706630
(2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide
CID 61178380
2-amino-N-(2-ethoxy-3-pyridinyl)-2-phenylacetamide
CID 43706621

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide (CID 114327859) is 2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide is CCOc1ncccc1NC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide?
The InChIKey is FAEWTDNFQPYZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-4-16-9-8(6-5-7-13-9)14-10(15)11(2,3)12/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide?
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide has a molecular weight of 287.16 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 114327859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).