N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide

C17H26BrNO3 — CID 82259560

IUPACN-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide
SMILESCCOc1cc(CC(Br)CC(C)C)ccc1NC(=O)COC
InChIInChI=1S/C17H26BrNO3/c1-5-22-16-10-13(9-14(18)8-12(2)3)6-7-15(16)19-17(20)11-21-4/h6-7,10,12,14H,5,8-9,11H2,1-4H3,(H,19,20)
InChIKeyIFKZGMWMPRKJBW-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.02
Rot. Bonds9

About N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide

N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide (PubChem CID 82259560) has the molecular formula C17H26BrNO3 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide
PubChem CID82259560
Molecular FormulaC17H26BrNO3
Molecular Weight372.30 g/mol
Exact Mass371.11
IUPAC NameN-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide
SMILESCCOc1cc(CC(Br)CC(C)C)ccc1NC(=O)COC
InChIInChI=1S/C17H26BrNO3/c1-5-22-16-10-13(9-14(18)8-12(2)3)6-7-15(16)19-17(20)11-21-4/h6-7,10,12,14H,5,8-9,11H2,1-4H3,(H,19,20)
InChIKeyIFKZGMWMPRKJBW-UHFFFAOYSA-N
XLogP4.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.02
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

N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259351
N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
CID 82259416
N-[4-(2-bromoethyl)-2-ethoxyphenyl]propanamide
CID 82259220
N-[4-(2-amino-3-methylbutyl)-2-ethoxyphenyl]acetamide
CID 82260032
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-[4-(2-amino-4-methylpentyl)phenyl]-2-methoxyacetamide
CID 82259972
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
N-(4-amino-2-ethoxyphenyl)propanamide
CID 95910426
N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide
CID 82258920
N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide
CID 82255063
4-(2-bromobutyl)-1,2-diethoxybenzene
CID 82254956
N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide
CID 82259817

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide (CID 82259560) is N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide is CCOc1cc(CC(Br)CC(C)C)ccc1NC(=O)COC.
What is the InChIKey of N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide?
The InChIKey is IFKZGMWMPRKJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO3/c1-5-22-16-10-13(9-14(18)8-12(2)3)6-7-15(16)19-17(20)11-21-4/h6-7,10,12,14H,5,8-9,11H2,1-4H3,(H,19,20).
What are the key properties of N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide?
N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide has a molecular weight of 372.30 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide is sourced from PubChem (CID 82259560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).