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

C11H15N3O3 — CID 61219292

IUPAC2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCNCC(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-12-8-11(15)13-7-6-9-2-4-10(5-3-9)14(16)17/h2-5,12H,6-8H2,1H3,(H,13,15)
InChIKeyHCWCZZZFBVRZFR-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.47
Rot. Bonds6

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

2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide (PubChem CID 61219292) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
PubChem CID61219292
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCNCC(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-12-8-11(15)13-7-6-9-2-4-10(5-3-9)14(16)17/h2-5,12H,6-8H2,1H3,(H,13,15)
InChIKeyHCWCZZZFBVRZFR-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
N'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451
1-methyl-3-[2-(4-nitrophenyl)ethyl]thiourea
CID 141036087
3-methyl-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 62965783
2-methyl-3-[2-(4-nitrophenyl)ethylamino]-3-oxopropanoic acid
CID 114898168
2-(4-nitrophenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163121
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide (CID 61219292) is 2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide is CNCC(=O)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The InChIKey is HCWCZZZFBVRZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-8-11(15)13-7-6-9-2-4-10(5-3-9)14(16)17/h2-5,12H,6-8H2,1H3,(H,13,15).
What are the key properties of 2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide?
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]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 2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 61219292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).