N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide

C18H28BrNO2 — CID 82259416

IUPACN-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
SMILESCCCC(Br)Cc1ccc(NC(=O)C(C)(C)C)c(OCC)c1
InChIInChI=1S/C18H28BrNO2/c1-6-8-14(19)11-13-9-10-15(16(12-13)22-7-2)20-17(21)18(3,4)5/h9-10,12,14H,6-8,11H2,1-5H3,(H,20,21)
InChIKeyFPUPAWUIZMNKQD-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.18
Rot. Bonds7

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

N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 82259416) has the molecular formula C18H28BrNO2 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
PubChem CID82259416
Molecular FormulaC18H28BrNO2
Molecular Weight370.33 g/mol
Exact Mass369.13
IUPAC NameN-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
SMILESCCCC(Br)Cc1ccc(NC(=O)C(C)(C)C)c(OCC)c1
InChIInChI=1S/C18H28BrNO2/c1-6-8-14(19)11-13-9-10-15(16(12-13)22-7-2)20-17(21)18(3,4)5/h9-10,12,14H,6-8,11H2,1-5H3,(H,20,21)
InChIKeyFPUPAWUIZMNKQD-UHFFFAOYSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.18
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-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
CID 82259619
N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259351
5-[4-(2,2-dimethylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 95414294
N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide
CID 82259560
N-[4-(2-amino-3-methylbutyl)-2-ethoxyphenyl]acetamide
CID 82260032
N-[4-(2-bromoethyl)-2-ethoxyphenyl]propanamide
CID 82259220
N-[4-(2-chloroethyl)-2-ethoxyphenyl]-2,2,2-trifluoroacetamide
CID 82260559
N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide
CID 82156146
4-(2-bromobutyl)-1,2-diethoxybenzene
CID 82254956
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide (CID 82259416) is N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide is CCCC(Br)Cc1ccc(NC(=O)C(C)(C)C)c(OCC)c1.
What is the InChIKey of N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is FPUPAWUIZMNKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO2/c1-6-8-14(19)11-13-9-10-15(16(12-13)22-7-2)20-17(21)18(3,4)5/h9-10,12,14H,6-8,11H2,1-5H3,(H,20,21).
What are the key properties of N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide?
N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 370.33 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82259416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).