2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide

C24H47N3O2 — CID 170006192

IUPAC2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide
SMILESCCCC(CCC)CN1CCN(CCOC2CC(NC(=O)C(C)CCC)C2)CC1
InChIInChI=1S/C24H47N3O2/c1-5-8-20(4)24(28)25-22-17-23(18-22)29-16-15-26-11-13-27(14-12-26)19-21(9-6-2)10-7-3/h20-23H,5-19H2,1-4H3,(H,25,28)
InChIKeyMEJAGDWBCSVSSM-UHFFFAOYSA-N
MW409.66 g/mol
LogP3.92
Rot. Bonds14

About 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide

2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide (PubChem CID 170006192) has the molecular formula C24H47N3O2 and a molecular weight of 409.66 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide
PubChem CID170006192
Molecular FormulaC24H47N3O2
Molecular Weight409.66 g/mol
Exact Mass409.37
IUPAC Name2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide
SMILESCCCC(CCC)CN1CCN(CCOC2CC(NC(=O)C(C)CCC)C2)CC1
InChIInChI=1S/C24H47N3O2/c1-5-8-20(4)24(28)25-22-17-23(18-22)29-16-15-26-11-13-27(14-12-26)19-21(9-6-2)10-7-3/h20-23H,5-19H2,1-4H3,(H,25,28)
InChIKeyMEJAGDWBCSVSSM-UHFFFAOYSA-N
XLogP3.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide?
The IUPAC name of 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide (CID 170006192) is 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide?
The canonical SMILES for 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide is CCCC(CCC)CN1CCN(CCOC2CC(NC(=O)C(C)CCC)C2)CC1.
What is the InChIKey of 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide?
The InChIKey is MEJAGDWBCSVSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3O2/c1-5-8-20(4)24(28)25-22-17-23(18-22)29-16-15-26-11-13-27(14-12-26)19-21(9-6-2)10-7-3/h20-23H,5-19H2,1-4H3,(H,25,28).
What are the key properties of 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide?
2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide has a molecular weight of 409.66 g/mol, XLogP of 3.92, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-[4-(2-propylpentyl)piperazin-1-yl]ethoxy]cyclobutyl]pentanamide is sourced from PubChem (CID 170006192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).