2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide

C15H22BrNO3 — CID 21298999

IUPAC2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide
SMILESCOCN(C(=O)CBr)c1c(OC)cccc1C(C)(C)C
InChIInChI=1S/C15H22BrNO3/c1-15(2,3)11-7-6-8-12(20-5)14(11)17(10-19-4)13(18)9-16/h6-8H,9-10H2,1-5H3
InChIKeyJCDSNMVDHRGQAM-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.32
Rot. Bonds5

About 2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide

2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide (PubChem CID 21298999) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide
PubChem CID21298999
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide
SMILESCOCN(C(=O)CBr)c1c(OC)cccc1C(C)(C)C
InChIInChI=1S/C15H22BrNO3/c1-15(2,3)11-7-6-8-12(20-5)14(11)17(10-19-4)13(18)9-16/h6-8H,9-10H2,1-5H3
InChIKeyJCDSNMVDHRGQAM-UHFFFAOYSA-N
XLogP3.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 21299002
2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide
CID 67892276
N-(2-tert-butylphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 20561480
ethane;(2-methoxyphenyl) 2-tert-butylbenzoate
CID 118040465
N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 19873472
2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 19020256
2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 154111334
2-[N-(methoxymethyl)-2,6-dimethylanilino]-2-oxoethanesulfonic acid
CID 139598040
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
N-(1-bromo-2-methylpropan-2-yl)-2,6-dimethoxybenzamide
CID 113274115
ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
CID 171559871
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437849

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide?
The IUPAC name of 2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide (CID 21298999) is 2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide is COCN(C(=O)CBr)c1c(OC)cccc1C(C)(C)C.
What is the InChIKey of 2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide?
The InChIKey is JCDSNMVDHRGQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-15(2,3)11-7-6-8-12(20-5)14(11)17(10-19-4)13(18)9-16/h6-8H,9-10H2,1-5H3.
What are the key properties of 2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide?
2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide has a molecular weight of 344.25 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide is sourced from PubChem (CID 21298999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).