N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide

C17H26BrNO2 — CID 82259619

IUPACN-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
SMILESCCOc1cc(CC(C)(C)Br)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C17H26BrNO2/c1-7-21-14-10-12(11-17(5,6)18)8-9-13(14)19-15(20)16(2,3)4/h8-10H,7,11H2,1-6H3,(H,19,20)
InChIKeyLEXXMIAKWATXSQ-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.79
Rot. Bonds5

About N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide

N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 82259619) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
PubChem CID82259619
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
SMILESCCOc1cc(CC(C)(C)Br)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C17H26BrNO2/c1-7-21-14-10-12(11-17(5,6)18)8-9-13(14)19-15(20)16(2,3)4/h8-10H,7,11H2,1-6H3,(H,19,20)
InChIKeyLEXXMIAKWATXSQ-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
CID 82259416
5-[4-(2,2-dimethylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 95414294
N-[4-(2-chloroethyl)-2-ethoxyphenyl]-2,2,2-trifluoroacetamide
CID 82260559
N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide
CID 82156146
N-[4-(2-bromoethyl)-2-ethoxyphenyl]propanamide
CID 82259220
N-[4-(2-bromoethyl)-2-ethoxyphenyl]-4-butylcyclohexane-1-carboxamide
CID 82259227
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
CID 1312332
N-[4-(2-bromo-2-methylpropanoyl)-2-ethoxyphenyl]butanamide
CID 82258987
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]-2,2,2-trifluoroacetamide
CID 82258660
N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259351
4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid
CID 82260151
N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259679

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide (CID 82259619) is N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide is CCOc1cc(CC(C)(C)Br)ccc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is LEXXMIAKWATXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-7-21-14-10-12(11-17(5,6)18)8-9-13(14)19-15(20)16(2,3)4/h8-10H,7,11H2,1-6H3,(H,19,20).
What are the key properties of N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide?
N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 356.30 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82259619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).