2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide

C14H20BrN3O2 — CID 113160547

IUPAC2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-11(19)18(8-7-17(2)3)10-14(20)16-13-6-4-5-12(15)9-13/h4-6,9H,7-8,10H2,1-3H3,(H,16,20)
InChIKeyMVQDWAUOBQYXQM-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.80
Rot. Bonds6

About 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide (PubChem CID 113160547) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
PubChem CID113160547
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-11(19)18(8-7-17(2)3)10-14(20)16-13-6-4-5-12(15)9-13/h4-6,9H,7-8,10H2,1-3H3,(H,16,20)
InChIKeyMVQDWAUOBQYXQM-UHFFFAOYSA-N
XLogP1.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide
CID 113165914
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide
CID 113160733
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113160562
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943931
N-(3-acetylphenyl)-2-[acetyl(propyl)amino]acetamide
CID 113158044
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide
CID 113160577
methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
CID 60660384
2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide
CID 113159568
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide (CID 113160547) is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide is CC(=O)N(CCN(C)C)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide?
The InChIKey is MVQDWAUOBQYXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-11(19)18(8-7-17(2)3)10-14(20)16-13-6-4-5-12(15)9-13/h4-6,9H,7-8,10H2,1-3H3,(H,16,20).
What are the key properties of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide?
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide has a molecular weight of 342.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 113160547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).