2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide

C13H18BrNO2 — CID 114327800

IUPAC2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
SMILESCCCOc1ccccc1NC(=O)C(C)(C)Br
InChIInChI=1S/C13H18BrNO2/c1-4-9-17-11-8-6-5-7-10(11)15-12(16)13(2,3)14/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyZZPJMAKNABNHRS-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.59
Rot. Bonds5

About 2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide

2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide (PubChem CID 114327800) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
PubChem CID114327800
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
SMILESCCCOc1ccccc1NC(=O)C(C)(C)Br
InChIInChI=1S/C13H18BrNO2/c1-4-9-17-11-8-6-5-7-10(11)15-12(16)13(2,3)14/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyZZPJMAKNABNHRS-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.59
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

2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
1,3-bis(2-butoxyphenyl)urea
CID 17170447
(E)-3-methyl-4-oxo-4-(2-propoxyanilino)but-2-enoic acid
CID 82335484
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide (CID 114327800) is 2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide is CCCOc1ccccc1NC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide?
The InChIKey is ZZPJMAKNABNHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-9-17-11-8-6-5-7-10(11)15-12(16)13(2,3)14/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide?
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide has a molecular weight of 300.20 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide is sourced from PubChem (CID 114327800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).