N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide

C13H19N3O3 — CID 103916425

IUPACN-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
SMILESCCN(C)C(=O)CNC(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-4-15(3)13(17)9-14-10(2)11-7-5-6-8-12(11)16(18)19/h5-8,10,14H,4,9H2,1-3H3
InChIKeyLVGDRAKTDHSYQE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.72
Rot. Bonds6

About N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide

N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide (PubChem CID 103916425) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
PubChem CID103916425
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
SMILESCCN(C)C(=O)CNC(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-4-15(3)13(17)9-14-10(2)11-7-5-6-8-12(11)16(18)19/h5-8,10,14H,4,9H2,1-3H3
InChIKeyLVGDRAKTDHSYQE-UHFFFAOYSA-N
XLogP1.72
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 43566906
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81379327
N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 103915670
2-[1-(2-nitrophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115663609
(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103906316
N',N'-diethyl-N-[1-(2-nitrophenyl)ethyl]propane-1,3-diamine
CID 43147574
N-[(2-ethylphenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 64681766
2-methyl-3-[1-(2-nitrophenyl)ethylamino]propan-1-ol
CID 65031967
N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide
CID 104926715
1,1-difluoro-3-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103788038
N-ethyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 81399721
2,2-difluoro-3-[1-(2-nitrophenyl)ethylamino]propan-1-ol
CID 104860613

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide (CID 103916425) is N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide is CCN(C)C(=O)CNC(C)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide?
The InChIKey is LVGDRAKTDHSYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-15(3)13(17)9-14-10(2)11-7-5-6-8-12(11)16(18)19/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide?
N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide is sourced from PubChem (CID 103916425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).