N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide

C17H26N4O4 — CID 55660304

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide
SMILESCCN1CCN(CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H26N4O4/c1-2-19-10-12-20(13-11-19)9-3-8-18-17(22)14-25-16-6-4-15(5-7-16)21(23)24/h4-7H,2-3,8-14H2,1H3,(H,18,22)
InChIKeyLBVBBIQUYIZLMW-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.12
Rot. Bonds9

About N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 55660304) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide
PubChem CID55660304
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide
SMILESCCN1CCN(CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H26N4O4/c1-2-19-10-12-20(13-11-19)9-3-8-18-17(22)14-25-16-6-4-15(5-7-16)21(23)24/h4-7H,2-3,8-14H2,1H3,(H,18,22)
InChIKeyLBVBBIQUYIZLMW-UHFFFAOYSA-N
XLogP1.12
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-ethyl-4-[3-(4-nitrophenoxy)propyl]piperazine;oxalic acid
CID 2961425
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
N-(3-hydroxypentyl)-2-(4-nitrophenoxy)acetamide
CID 115703818
2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
CID 6619196
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 9012111
2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
CID 55660167

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide (CID 55660304) is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide is CCN1CCN(CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is LBVBBIQUYIZLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-2-19-10-12-20(13-11-19)9-3-8-18-17(22)14-25-16-6-4-15(5-7-16)21(23)24/h4-7H,2-3,8-14H2,1H3,(H,18,22).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 350.42 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 55660304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).