N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide

C11H15N3O3 — CID 62657388

IUPACN-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
SMILESCNCCNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-12-6-7-13-11(15)8-9-2-4-10(5-3-9)14(16)17/h2-5,12H,6-8H2,1H3,(H,13,15)
InChIKeyAISLXNKWPSRIEY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.47
Rot. Bonds6

About N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide

N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 62657388) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
PubChem CID62657388
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
SMILESCNCCNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-12-6-7-13-11(15)8-9-2-4-10(5-3-9)14(16)17/h2-5,12H,6-8H2,1H3,(H,13,15)
InChIKeyAISLXNKWPSRIEY-UHFFFAOYSA-N
XLogP0.47
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
2-(4-nitrophenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163121
(4-nitrophenyl) [4-[2-oxo-2-(propylamino)ethyl]phenyl] carbonate
CID 102331178
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)sulfanylacetamide;hydrochloride
CID 119502828
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715
N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide
CID 9480592
2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502206
N-(3-hydroxy-4-methoxybutyl)-2-(4-nitrophenyl)acetamide
CID 103877226

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide (CID 62657388) is N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide is CNCCNC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is AISLXNKWPSRIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-6-7-13-11(15)8-9-2-4-10(5-3-9)14(16)17/h2-5,12H,6-8H2,1H3,(H,13,15).
What are the key properties of N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide?
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 237.26 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 62657388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).