2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide

C15H20BrNO4 — CID 43627073

IUPAC2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide
SMILESCCOc1cc(C=O)cc(Br)c1OC(C)C(=O)NC(C)C
InChIInChI=1S/C15H20BrNO4/c1-5-20-13-7-11(8-18)6-12(16)14(13)21-10(4)15(19)17-9(2)3/h6-10H,5H2,1-4H3,(H,17,19)
InChIKeyLZPLGMUGQGRQCZ-UHFFFAOYSA-N
MW358.23 g/mol
LogP2.95
Rot. Bonds7

About 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide

2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 43627073) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide
PubChem CID43627073
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide
SMILESCCOc1cc(C=O)cc(Br)c1OC(C)C(=O)NC(C)C
InChIInChI=1S/C15H20BrNO4/c1-5-20-13-7-11(8-18)6-12(16)14(13)21-10(4)15(19)17-9(2)3/h6-10H,5H2,1-4H3,(H,17,19)
InChIKeyLZPLGMUGQGRQCZ-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide
CID 43627072
ethyl (2R)-2-(2-bromo-6-ethoxy-4-formylphenoxy)propanoate
CID 42573561
2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide
CID 62901389
2-[2-bromo-4-(2-carboxyethenyl)-6-ethoxyphenoxy]propanoic acid
CID 76914316
2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoic acid
CID 4763755
3-bromo-5-ethoxy-4-[1-(ethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43627113
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 107738224
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide
CID 107738304
3-(3-bromo-4,5-diethoxyphenyl)-2-cyano-N-propan-2-ylprop-2-enamide
CID 4510066
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201813
N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide
CID 3635185
3-bromo-5-ethoxy-4-(6-hydroxyhexoxy)benzaldehyde
CID 107703888

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide (CID 43627073) is 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide is CCOc1cc(C=O)cc(Br)c1OC(C)C(=O)NC(C)C.
What is the InChIKey of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is LZPLGMUGQGRQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c1-5-20-13-7-11(8-18)6-12(16)14(13)21-10(4)15(19)17-9(2)3/h6-10H,5H2,1-4H3,(H,17,19).
What are the key properties of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide?
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 358.23 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 43627073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).