N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen

C15H33N3O3 — CID 155582806

IUPACN-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
SMILESCCCC(=O)NCCOCCOCCN1CCN(C)CC1.[H][H]
InChIInChI=1S/C15H31N3O3.H2/c1-3-4-15(19)16-5-11-20-13-14-21-12-10-18-8-6-17(2)7-9-18;/h3-14H2,1-2H3,(H,16,19);1H
InChIKeyTWOYVQRLSJDORI-UHFFFAOYSA-N
MW303.45 g/mol
LogP0.43
Rot. Bonds11

About N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen

N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen (PubChem CID 155582806) has the molecular formula C15H33N3O3 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
PubChem CID155582806
Molecular FormulaC15H33N3O3
Molecular Weight303.45 g/mol
Exact Mass303.25
IUPAC NameN-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
SMILESCCCC(=O)NCCOCCOCCN1CCN(C)CC1.[H][H]
InChIInChI=1S/C15H31N3O3.H2/c1-3-4-15(19)16-5-11-20-13-14-21-12-10-18-8-6-17(2)7-9-18;/h3-14H2,1-2H3,(H,16,19);1H
InChIKeyTWOYVQRLSJDORI-UHFFFAOYSA-N
XLogP0.43
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 50.43
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-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 176967624
N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide
CID 170630354
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
CID 171786557
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
N-[2-(2-aminoethoxy)ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 175195064
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen?
The IUPAC name of N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen (CID 155582806) is N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen.
What is the SMILES notation for N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen?
The canonical SMILES for N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen is CCCC(=O)NCCOCCOCCN1CCN(C)CC1.[H][H].
What is the InChIKey of N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen?
The InChIKey is TWOYVQRLSJDORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3.H2/c1-3-4-15(19)16-5-11-20-13-14-21-12-10-18-8-6-17(2)7-9-18;/h3-14H2,1-2H3,(H,16,19);1H.
What are the key properties of N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen?
N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen has a molecular weight of 303.45 g/mol, XLogP of 0.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen is sourced from PubChem (CID 155582806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).