2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide

C21H26BrNO6 — CID 23147478

IUPAC2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1c(Br)c(OCOC)cc(OCOC)c1-c1ccccc1
InChIInChI=1S/C21H26BrNO6/c1-25-10-9-23-19(24)11-16-20(15-7-5-4-6-8-15)17(28-13-26-2)12-18(21(16)22)29-14-27-3/h4-8,12H,9-11,13-14H2,1-3H3,(H,23,24)
InChIKeyRNJQRHJAWYJJQV-UHFFFAOYSA-N
MW468.34 g/mol
LogP3.39
Rot. Bonds12

About 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide

2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide (PubChem CID 23147478) has the molecular formula C21H26BrNO6 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide
PubChem CID23147478
Molecular FormulaC21H26BrNO6
Molecular Weight468.34 g/mol
Exact Mass467.09
IUPAC Name2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1c(Br)c(OCOC)cc(OCOC)c1-c1ccccc1
InChIInChI=1S/C21H26BrNO6/c1-25-10-9-23-19(24)11-16-20(15-7-5-4-6-8-15)17(28-13-26-2)12-18(21(16)22)29-14-27-3/h4-8,12H,9-11,13-14H2,1-3H3,(H,23,24)
InChIKeyRNJQRHJAWYJJQV-UHFFFAOYSA-N
XLogP3.39
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 23146935
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide
CID 23147428
2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetic acid
CID 23146920
2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetamide
CID 23147052
methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate
CID 23146916
3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol
CID 23147311
2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
CID 4669568
3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene
CID 175245335
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 2520547

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide (CID 23147478) is 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1c(Br)c(OCOC)cc(OCOC)c1-c1ccccc1.
What is the InChIKey of 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is RNJQRHJAWYJJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO6/c1-25-10-9-23-19(24)11-16-20(15-7-5-4-6-8-15)17(28-13-26-2)12-18(21(16)22)29-14-27-3/h4-8,12H,9-11,13-14H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide?
2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 468.34 g/mol, XLogP of 3.39, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 23147478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).