N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide

C13H18N2O4 — CID 2179209

IUPACN-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide
SMILESCCOCCCNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-2-19-9-5-8-14-13(16)10-11-6-3-4-7-12(11)15(17)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,14,16)
InChIKeyALKHGUASUXZZIC-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.68
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide

N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide (PubChem CID 2179209) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide
PubChem CID2179209
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide
SMILESCCOCCCNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-2-19-9-5-8-14-13(16)10-11-6-3-4-7-12(11)15(17)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,14,16)
InChIKeyALKHGUASUXZZIC-UHFFFAOYSA-N
XLogP1.68
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
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-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-[3-(ethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 43601616
1-(3-ethoxypropyl)-2-methyl-3-[(2-nitrophenyl)methyl]guanidine;hydroiodide
CID 111223882
N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 3387628
1-(4-ethoxybutyl)-2-methyl-3-[(2-nitrophenyl)methyl]guanidine
CID 111943881
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
N-(3-ethoxypropyl)-2-methyl-3-nitrobenzamide
CID 2172330
2-amino-N-(3-ethoxypropyl)-3-nitrobenzamide
CID 112696624
N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide
CID 4823165
N-(3-ethoxypropyl)-2-(ethylamino)-3-nitrobenzamide
CID 115936439
N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide
CID 41278296
1-(4-ethoxybutyl)-3-ethyl-2-[(2-nitrophenyl)methyl]guanidine
CID 111944365

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide (CID 2179209) is N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide is CCOCCCNC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is ALKHGUASUXZZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-19-9-5-8-14-13(16)10-11-6-3-4-7-12(11)15(17)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,14,16).
What are the key properties of N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide?
N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 2179209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).