2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide

C19H31N3O2 — CID 119392853

IUPAC2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)16-7-4-5-8-17(16)24-15-18(23)21-9-6-12-22-13-10-20-11-14-22/h4-5,7-8,20H,6,9-15H2,1-3H3,(H,21,23)
InChIKeyKTKJCJHJRZHFCI-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.77
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide

2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119392853) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119392853
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)16-7-4-5-8-17(16)24-15-18(23)21-9-6-12-22-13-10-20-11-14-22/h4-5,7-8,20H,6,9-15H2,1-3H3,(H,21,23)
InChIKeyKTKJCJHJRZHFCI-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
1-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391828
6-[[2-(2-tert-butylphenoxy)acetyl]amino]hexanoic acid
CID 53263967
2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394421
4-(2-bromophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393381
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 119394347
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394011

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide (CID 119392853) is 2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide is CC(C)(C)c1ccccc1OCC(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is KTKJCJHJRZHFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2,3)16-7-4-5-8-17(16)24-15-18(23)21-9-6-12-22-13-10-20-11-14-22/h4-5,7-8,20H,6,9-15H2,1-3H3,(H,21,23).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide?
2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119392853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).