2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide

C22H28BrNO3 — CID 10365607

IUPAC2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide
SMILESCCCCC(Cc1cccc(OC)c1)NC(=O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C22H28BrNO3/c1-4-5-8-18(12-16-7-6-9-19(13-16)26-2)24-22(25)15-17-10-11-21(27-3)20(23)14-17/h6-7,9-11,13-14,18H,4-5,8,12,15H2,1-3H3,(H,24,25)
InChIKeyFFZRYLQPITUEQM-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.93
Rot. Bonds10

About 2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide

2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide (PubChem CID 10365607) has the molecular formula C22H28BrNO3 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide
PubChem CID10365607
Molecular FormulaC22H28BrNO3
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide
SMILESCCCCC(Cc1cccc(OC)c1)NC(=O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C22H28BrNO3/c1-4-5-8-18(12-16-7-6-9-19(13-16)26-2)24-22(25)15-17-10-11-21(27-3)20(23)14-17/h6-7,9-11,13-14,18H,4-5,8,12,15H2,1-3H3,(H,24,25)
InChIKeyFFZRYLQPITUEQM-UHFFFAOYSA-N
XLogP4.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
1-(3-bromo-4-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79411886
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119668074
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119664954
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide (CID 10365607) is 2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide is CCCCC(Cc1cccc(OC)c1)NC(=O)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide?
The InChIKey is FFZRYLQPITUEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO3/c1-4-5-8-18(12-16-7-6-9-19(13-16)26-2)24-22(25)15-17-10-11-21(27-3)20(23)14-17/h6-7,9-11,13-14,18H,4-5,8,12,15H2,1-3H3,(H,24,25).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide?
2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide has a molecular weight of 434.37 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide is sourced from PubChem (CID 10365607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).