N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide

C13H19N3O2 — CID 62686648

IUPACN-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C)CCN)cc1
InChIInChI=1S/C13H19N3O2/c1-10(17)11-3-5-12(6-4-11)15-13(18)9-16(2)8-7-14/h3-6H,7-9,14H2,1-2H3,(H,15,18)
InChIKeyCLAABHRIRFURJT-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds6

About N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide

N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide (PubChem CID 62686648) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
PubChem CID62686648
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C)CCN)cc1
InChIInChI=1S/C13H19N3O2/c1-10(17)11-3-5-12(6-4-11)15-13(18)9-16(2)8-7-14/h3-6H,7-9,14H2,1-2H3,(H,15,18)
InChIKeyCLAABHRIRFURJT-UHFFFAOYSA-N
XLogP0.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442578
2-[2-aminoethyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 62688099
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 62687003
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 55103559
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 9105977
2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
CID 107207153
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166595

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide (CID 62686648) is N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide is CC(=O)c1ccc(NC(=O)CN(C)CCN)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide?
The InChIKey is CLAABHRIRFURJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(17)11-3-5-12(6-4-11)15-13(18)9-16(2)8-7-14/h3-6H,7-9,14H2,1-2H3,(H,15,18).
What are the key properties of N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide?
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide is sourced from PubChem (CID 62686648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).