2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide

C15H21BrN2O3 — CID 113160116

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(C)c(Br)c1)C(C)=O
InChIInChI=1S/C15H21BrN2O3/c1-11-5-6-13(9-14(11)16)17-15(20)10-18(12(2)19)7-4-8-21-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20)
InChIKeyOPILHTPAFUYSSE-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.58
Rot. Bonds7

About 2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide

2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide (PubChem CID 113160116) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
PubChem CID113160116
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(C)c(Br)c1)C(C)=O
InChIInChI=1S/C15H21BrN2O3/c1-11-5-6-13(9-14(11)16)17-15(20)10-18(12(2)19)7-4-8-21-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20)
InChIKeyOPILHTPAFUYSSE-UHFFFAOYSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide
CID 113160115
2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160101
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
3-[acetyl(butyl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113115838
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943352
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160122
2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113159914
N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 111436417
2-[acetyl(2-methoxyethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113159904
2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 113173420
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide (CID 113160116) is 2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide is COCCCN(CC(=O)Nc1ccc(C)c(Br)c1)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide?
The InChIKey is OPILHTPAFUYSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-11-5-6-13(9-14(11)16)17-15(20)10-18(12(2)19)7-4-8-21-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide?
2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide has a molecular weight of 357.25 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 113160116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).