2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide

C12H17N3O4 — CID 106238226

IUPAC2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O4/c13-12(16)9-19-8-7-14-6-5-10-1-3-11(4-2-10)15(17)18/h1-4,14H,5-9H2,(H2,13,16)
InChIKeyMGEOYKBGFNMTQD-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.23
Rot. Bonds9

About 2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide

2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide (PubChem CID 106238226) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide
PubChem CID106238226
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O4/c13-12(16)9-19-8-7-14-6-5-10-1-3-11(4-2-10)15(17)18/h1-4,14H,5-9H2,(H2,13,16)
InChIKeyMGEOYKBGFNMTQD-UHFFFAOYSA-N
XLogP0.23
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
4-[2-(4-nitrophenyl)ethylamino]butan-2-ol
CID 64912488
methyl 2-[2-(4-nitrophenyl)ethylamino]acetate
CID 43519885
4-[2-(4-nitrophenyl)ethylamino]butanoic acid
CID 43520095
5-[2-(4-nitrophenyl)ethylamino]pentan-1-ol
CID 62229014
2-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976525
N-[2-(4-nitrophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491418
2-(4-nitrophenyl)ethylthiourea
CID 24973175
3-(4-nitrophenyl)propyl hydrogen carbonate
CID 67493125
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide
CID 62325144
2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide
CID 114162578

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide (CID 106238226) is 2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide is NC(=O)COCCNCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide?
The InChIKey is MGEOYKBGFNMTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c13-12(16)9-19-8-7-14-6-5-10-1-3-11(4-2-10)15(17)18/h1-4,14H,5-9H2,(H2,13,16).
What are the key properties of 2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide?
2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide has a molecular weight of 267.28 g/mol, XLogP of 0.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide is sourced from PubChem (CID 106238226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).