2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide

C19H31N3O3 — CID 110443295

IUPAC2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCCCCN1CCN(C)CC1
InChIInChI=1S/C19H31N3O3/c1-21-12-14-22(15-13-21)11-7-3-6-10-20-19(23)16-25-18-9-5-4-8-17(18)24-2/h4-5,8-9H,3,6-7,10-16H2,1-2H3,(H,20,23)
InChIKeyHPDCUKYMTMJCIM-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.61
Rot. Bonds10

About 2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide

2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide (PubChem CID 110443295) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide
PubChem CID110443295
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCCCCN1CCN(C)CC1
InChIInChI=1S/C19H31N3O3/c1-21-12-14-22(15-13-21)11-7-3-6-10-20-19(23)16-25-18-9-5-4-8-17(18)24-2/h4-5,8-9H,3,6-7,10-16H2,1-2H3,(H,20,23)
InChIKeyHPDCUKYMTMJCIM-UHFFFAOYSA-N
XLogP1.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrate;dihydrochloride
CID 23623040
2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 30540651
2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
2-(2-methoxyphenoxy)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 110709914
2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266897
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547664
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide (CID 110443295) is 2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide is COc1ccccc1OCC(=O)NCCCCCN1CCN(C)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide?
The InChIKey is HPDCUKYMTMJCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-21-12-14-22(15-13-21)11-7-3-6-10-20-19(23)16-25-18-9-5-4-8-17(18)24-2/h4-5,8-9H,3,6-7,10-16H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide?
2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide is sourced from PubChem (CID 110443295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).