3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide

C16H23BrN2O2 — CID 113128676

IUPAC3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(C(C)=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-5-18(6-2)16(21)9-10-19(13(4)20)14-8-7-12(3)15(17)11-14/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyDWAFFXKPNYRLGH-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.37
Rot. Bonds6

About 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide

3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide (PubChem CID 113128676) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide
PubChem CID113128676
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(C(C)=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-5-18(6-2)16(21)9-10-19(13(4)20)14-8-7-12(3)15(17)11-14/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyDWAFFXKPNYRLGH-UHFFFAOYSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide
CID 113128684
3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide
CID 113124355
3-(N-acetyl-3-bromo-4-methylanilino)-N-butylpropanamide
CID 113128654
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113128682
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060416
2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide
CID 113173028
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237
N-(3-bromo-4-methylphenyl)acetohydrazide
CID 82293551
N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113060405

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide?
The IUPAC name of 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide (CID 113128676) is 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCN(C(C)=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide?
The InChIKey is DWAFFXKPNYRLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-5-18(6-2)16(21)9-10-19(13(4)20)14-8-7-12(3)15(17)11-14/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide?
3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide has a molecular weight of 355.28 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 113128676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).