N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide

C10H11N5O3 — CID 61342315

IUPACN-(2-azidoethyl)-2-(2-nitrophenyl)acetamide
SMILES[N-]=[N+]=NCCNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O3/c11-14-13-6-5-12-10(16)7-8-3-1-2-4-9(8)15(17)18/h1-4H,5-7H2,(H,12,16)
InChIKeyNVPUVUWULLNESG-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.56
Rot. Bonds6

About N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide

N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide (PubChem CID 61342315) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-(2-nitrophenyl)acetamide
PubChem CID61342315
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC NameN-(2-azidoethyl)-2-(2-nitrophenyl)acetamide
SMILES[N-]=[N+]=NCCNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O3/c11-14-13-6-5-12-10(16)7-8-3-1-2-4-9(8)15(17)18/h1-4H,5-7H2,(H,12,16)
InChIKeyNVPUVUWULLNESG-UHFFFAOYSA-N
XLogP1.56
TPSA121.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-azidoethyl)-2-naphthalen-1-ylacetamide
CID 61342306
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 3387628
N-[3-(ethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 43601616
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 116649980
N-(2-benzylsulfanylethyl)-2-(2-nitrophenyl)acetamide
CID 4016425
N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide
CID 2179209
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60568912
2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide
CID 107261265

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide (CID 61342315) is N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide is [N-]=[N+]=NCCNC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is NVPUVUWULLNESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c11-14-13-6-5-12-10(16)7-8-3-1-2-4-9(8)15(17)18/h1-4H,5-7H2,(H,12,16).
What are the key properties of N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide?
N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 249.23 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 61342315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).