2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide

C14H20BrNO2 — CID 67892276

IUPAC2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide
SMILESCOCN(C(=O)CBr)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)11-7-5-6-8-12(11)16(10-18-4)13(17)9-15/h5-8H,9-10H2,1-4H3
InChIKeyWYBKDWWLHYLWNE-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.32
Rot. Bonds4

About 2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide

2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide (PubChem CID 67892276) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide
PubChem CID67892276
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide
SMILESCOCN(C(=O)CBr)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)11-7-5-6-8-12(11)16(10-18-4)13(17)9-15/h5-8H,9-10H2,1-4H3
InChIKeyWYBKDWWLHYLWNE-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 20561480
2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide
CID 21298999
N-(2-tert-butylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 54038118
N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 21299002
N-acetyl-N-(2-tert-butylphenyl)propanamide
CID 15889837
(2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide
CID 11288870
methyl 3-(2-tert-butyl-N-methylanilino)propanoate
CID 117029464
2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide
CID 146415746
(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
1-(2-tert-butyl-N-methylanilino)propan-2-one
CID 117029491
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
methyl 2-[(2-bromoacetyl)-propylamino]benzoate
CID 21480472

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide?
The IUPAC name of 2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide (CID 67892276) is 2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide is COCN(C(=O)CBr)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide?
The InChIKey is WYBKDWWLHYLWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(2,3)11-7-5-6-8-12(11)16(10-18-4)13(17)9-15/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide?
2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide has a molecular weight of 314.22 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide is sourced from PubChem (CID 67892276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).