4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide

C13H19N3O3 — CID 79474171

IUPAC4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)COCCN)cc1
InChIInChI=1S/C13H19N3O3/c1-16(2)13(18)10-3-5-11(6-4-10)15-12(17)9-19-8-7-14/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyUWVRTQNQLOBFPT-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.30
Rot. Bonds6

About 4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 79474171) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID79474171
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)COCCN)cc1
InChIInChI=1S/C13H19N3O3/c1-16(2)13(18)10-3-5-11(6-4-10)15-12(17)9-19-8-7-14/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyUWVRTQNQLOBFPT-UHFFFAOYSA-N
XLogP0.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7984519
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2673687
2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
CID 79463677
2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
CID 79473066
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7752504
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672080
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133428
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133427

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 79474171) is 4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)COCCN)cc1.
What is the InChIKey of 4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is UWVRTQNQLOBFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(2)13(18)10-3-5-11(6-4-10)15-12(17)9-19-8-7-14/h3-6H,7-9,14H2,1-2H3,(H,15,17).
What are the key properties of 4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 79474171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).