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

C12H17N3O3 — CID 43566906

IUPACN-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
SMILESCCNC(=O)CNC(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-3-13-12(16)8-14-9(2)10-6-4-5-7-11(10)15(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,13,16)
InChIKeyQEBXHQOTNGAWEH-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.38
Rot. Bonds6

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

N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide (PubChem CID 43566906) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
PubChem CID43566906
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
SMILESCCNC(=O)CNC(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-3-13-12(16)8-14-9(2)10-6-4-5-7-11(10)15(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,13,16)
InChIKeyQEBXHQOTNGAWEH-UHFFFAOYSA-N
XLogP1.38
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
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-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 103916425
2-[1-(2-nitrophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115663609
(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103906316
N-[(2-ethylphenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 64681766
2-methyl-3-[1-(2-nitrophenyl)ethylamino]propan-1-ol
CID 65031967
N-ethyl-2-(2-nitrophenyl)pentan-3-amine
CID 55221329
1,1-difluoro-3-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103788038
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
2,2-difluoro-3-[1-(2-nitrophenyl)ethylamino]propan-1-ol
CID 104860613
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
N',N'-diethyl-N-[1-(2-nitrophenyl)ethyl]propane-1,3-diamine
CID 43147574
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 9307130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide?
The IUPAC name of N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide (CID 43566906) is N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide?
The canonical SMILES for N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide is CCNC(=O)CNC(C)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide?
The InChIKey is QEBXHQOTNGAWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-13-12(16)8-14-9(2)10-6-4-5-7-11(10)15(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide?
N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide has a molecular weight of 251.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide is sourced from PubChem (CID 43566906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).