N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H22BrNO3 — CID 115949703

IUPACN-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCOc1ccc(NC(=O)COC(C)(C)C)cc1CBr
InChIInChI=1S/C15H22BrNO3/c1-5-19-13-7-6-12(8-11(13)9-16)17-14(18)10-20-15(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyZCIWPTSUYGRQJM-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.73
Rot. Bonds6

About N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115949703) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115949703
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC NameN-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCOc1ccc(NC(=O)COC(C)(C)C)cc1CBr
InChIInChI=1S/C15H22BrNO3/c1-5-19-13-7-6-12(8-11(13)9-16)17-14(18)10-20-15(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyZCIWPTSUYGRQJM-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.73
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-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
N-[3-(bromomethyl)-4-ethoxyphenyl]cyclohexanecarboxamide
CID 114313578
N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
CID 114313641
N-[3-(chloromethyl)-4-ethoxyphenyl]-3,3-dimethylbutanamide
CID 114302982
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
2-methyl-N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115950293
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
CID 106754238
2,5-dibromo-N-[3-(bromomethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
CID 107966149
N-[3-(bromomethyl)-4-ethoxyphenyl]-3-methylthiophene-2-carboxamide
CID 114313610
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115949703) is N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CCOc1ccc(NC(=O)COC(C)(C)C)cc1CBr.
What is the InChIKey of N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is ZCIWPTSUYGRQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-5-19-13-7-6-12(8-11(13)9-16)17-14(18)10-20-15(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 344.25 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115949703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).