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

C18H37N3O2 — CID 156561122

IUPACN-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCCC(C)(CCC)OCCCNC(=O)CN1CCN(C)CC1
InChIInChI=1S/C18H37N3O2/c1-5-8-18(3,9-6-2)23-15-7-10-19-17(22)16-21-13-11-20(4)12-14-21/h5-16H2,1-4H3,(H,19,22)
InChIKeyIQLVCSYEFYDWLI-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.12
Rot. Bonds11

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

N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 156561122) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID156561122
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC NameN-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCCC(C)(CCC)OCCCNC(=O)CN1CCN(C)CC1
InChIInChI=1S/C18H37N3O2/c1-5-8-18(3,9-6-2)23-15-7-10-19-17(22)16-21-13-11-20(4)12-14-21/h5-16H2,1-4H3,(H,19,22)
InChIKeyIQLVCSYEFYDWLI-UHFFFAOYSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.12
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-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 156561122) is N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide is CCCC(C)(CCC)OCCCNC(=O)CN1CCN(C)CC1.
What is the InChIKey of N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is IQLVCSYEFYDWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-5-8-18(3,9-6-2)23-15-7-10-19-17(22)16-21-13-11-20(4)12-14-21/h5-16H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 327.51 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 156561122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).