N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide

C19H39N3O2 — CID 149237739

IUPACN-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCCCC(C)(CCC)OCCCNC(=O)CN1CCN(C)CC1
InChIInChI=1S/C19H39N3O2/c1-5-7-10-19(3,9-6-2)24-16-8-11-20-18(23)17-22-14-12-21(4)13-15-22/h5-17H2,1-4H3,(H,20,23)
InChIKeyXLOFUYNEJKXDJQ-UHFFFAOYSA-N
MW341.54 g/mol
LogP2.51
Rot. Bonds12

About N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 149237739) has the molecular formula C19H39N3O2 and a molecular weight of 341.54 g/mol. Its IUPAC name is N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID149237739
Molecular FormulaC19H39N3O2
Molecular Weight341.54 g/mol
Exact Mass341.30
IUPAC NameN-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCCCC(C)(CCC)OCCCNC(=O)CN1CCN(C)CC1
InChIInChI=1S/C19H39N3O2/c1-5-7-10-19(3,9-6-2)24-16-8-11-20-18(23)17-22-14-12-21(4)13-15-22/h5-17H2,1-4H3,(H,20,23)
InChIKeyXLOFUYNEJKXDJQ-UHFFFAOYSA-N
XLogP2.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 149237739) is N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide is CCCCC(C)(CCC)OCCCNC(=O)CN1CCN(C)CC1.
What is the InChIKey of N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is XLOFUYNEJKXDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O2/c1-5-7-10-19(3,9-6-2)24-16-8-11-20-18(23)17-22-14-12-21(4)13-15-22/h5-17H2,1-4H3,(H,20,23).
What are the key properties of N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 341.54 g/mol, XLogP of 2.51, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 149237739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).