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

C10H13N3O3 — CID 61218715

IUPAC2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESNCC(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O3/c11-7-10(14)12-6-5-8-1-3-9(4-2-8)13(15)16/h1-4H,5-7,11H2,(H,12,14)
InChIKeyNAQSLHNBKLVKEG-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.21
Rot. Bonds5

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

2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide (PubChem CID 61218715) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
PubChem CID61218715
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESNCC(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O3/c11-7-10(14)12-6-5-8-1-3-9(4-2-8)13(15)16/h1-4H,5-7,11H2,(H,12,14)
InChIKeyNAQSLHNBKLVKEG-UHFFFAOYSA-N
XLogP0.21
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.21
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'}

Analyze 2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
3-(aminomethyl)-N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 81087222
N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
2-(4-nitrophenyl)ethylthiourea
CID 24973175
1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464485
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide
CID 119320506
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide;hydrochloride
CID 119320505
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
N'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide (CID 61218715) is 2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide is NCC(=O)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide?
The InChIKey is NAQSLHNBKLVKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-7-10(14)12-6-5-8-1-3-9(4-2-8)13(15)16/h1-4H,5-7,11H2,(H,12,14).
What are the key properties of 2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide?
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide has a molecular weight of 223.23 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 61218715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).