2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide

C16H33N3O4 — CID 168837908

IUPAC2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)C(=O)NCCOCCOCCOCCN1CCNCC1
InChIInChI=1S/C16H33N3O4/c1-15(2)16(20)18-5-9-21-11-13-23-14-12-22-10-8-19-6-3-17-4-7-19/h15,17H,3-14H2,1-2H3,(H,18,20)
InChIKeyOKCRCQMUZDDYJE-UHFFFAOYSA-N
MW331.46 g/mol
LogP-0.29
Rot. Bonds13

About 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide

2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 168837908) has the molecular formula C16H33N3O4 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
PubChem CID168837908
Molecular FormulaC16H33N3O4
Molecular Weight331.46 g/mol
Exact Mass331.25
IUPAC Name2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)C(=O)NCCOCCOCCOCCN1CCNCC1
InChIInChI=1S/C16H33N3O4/c1-15(2)16(20)18-5-9-21-11-13-23-14-12-22-10-8-19-6-3-17-4-7-19/h15,17H,3-14H2,1-2H3,(H,18,20)
InChIKeyOKCRCQMUZDDYJE-UHFFFAOYSA-N
XLogP-0.29
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen
CID 169215012
2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138728006
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
3-methoxy-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446403
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
CID 155439428
4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide
CID 168721590
4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide
CID 166586186
benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
CID 138695504
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide (CID 168837908) is 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide is CC(C)C(=O)NCCOCCOCCOCCN1CCNCC1.
What is the InChIKey of 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is OKCRCQMUZDDYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O4/c1-15(2)16(20)18-5-9-21-11-13-23-14-12-22-10-8-19-6-3-17-4-7-19/h15,17H,3-14H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide?
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 331.46 g/mol, XLogP of -0.29, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 168837908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).