N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide

C17H21N3O2 — CID 25337456

IUPACN-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
SMILESCC(=O)NCCNC(=O)CN(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H21N3O2/c1-13(21)18-9-10-19-17(22)12-20(2)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11H,9-10,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXYOJXFIYEHPUFW-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.53
Rot. Bonds6

About N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide

N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide (PubChem CID 25337456) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
PubChem CID25337456
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
SMILESCC(=O)NCCNC(=O)CN(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H21N3O2/c1-13(21)18-9-10-19-17(22)12-20(2)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11H,9-10,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXYOJXFIYEHPUFW-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593322
N-(3-methylbutylcarbamoyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593147
N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 8593205
2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8593155
2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium
CID 118011322
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
N-(2,5-difluorophenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593308
N-(2-ethyl-6-methylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593113
2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide
CID 8593287
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593303
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
N-[2-(dimethylamino)ethyl]-2-(N-methylanilino)acetamide
CID 108994641

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide (CID 25337456) is N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide is CC(=O)NCCNC(=O)CN(C)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide?
The InChIKey is XYOJXFIYEHPUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(21)18-9-10-19-17(22)12-20(2)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11H,9-10,12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide?
N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide has a molecular weight of 299.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide is sourced from PubChem (CID 25337456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).