2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide

C28H57N3O3 — CID 170250635

IUPAC2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide
SMILESCCCCCCC(C)(CC)C(=O)NCCOCCOCCN1CCN(C(C)(C)CCCC)CC1
InChIInChI=1S/C28H57N3O3/c1-7-10-12-13-15-28(6,9-3)26(32)29-16-22-33-24-25-34-23-21-30-17-19-31(20-18-30)27(4,5)14-11-8-2/h7-25H2,1-6H3,(H,29,32)
InChIKeyUUEAHSUHYGDNNL-UHFFFAOYSA-N
MW483.78 g/mol
LogP5.11
Rot. Bonds20

About 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide

2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide (PubChem CID 170250635) has the molecular formula C28H57N3O3 and a molecular weight of 483.78 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide
PubChem CID170250635
Molecular FormulaC28H57N3O3
Molecular Weight483.78 g/mol
Exact Mass483.44
IUPAC Name2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide
SMILESCCCCCCC(C)(CC)C(=O)NCCOCCOCCN1CCN(C(C)(C)CCCC)CC1
InChIInChI=1S/C28H57N3O3/c1-7-10-12-13-15-28(6,9-3)26(32)29-16-22-33-24-25-34-23-21-30-17-19-31(20-18-30)27(4,5)14-11-8-2/h7-25H2,1-6H3,(H,29,32)
InChIKeyUUEAHSUHYGDNNL-UHFFFAOYSA-N
XLogP5.11
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.78
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide with MolForge

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Related Compounds

N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
CID 166800924
2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide
CID 134590765
methyl 3-[(2-ethyl-2-methyloctanoyl)amino]propanoate
CID 135208354
tert-butyl N-[2-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 158666414
N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide
CID 166929446
N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 167191561
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine
CID 63343718
N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide
CID 170630354
2-ethyl-N-hydroxy-2-methylpentadecanamide
CID 138558679
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 155582806

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide?
The IUPAC name of 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide (CID 170250635) is 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide.
What is the SMILES notation for 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide?
The canonical SMILES for 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide is CCCCCCC(C)(CC)C(=O)NCCOCCOCCN1CCN(C(C)(C)CCCC)CC1.
What is the InChIKey of 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide?
The InChIKey is UUEAHSUHYGDNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N3O3/c1-7-10-12-13-15-28(6,9-3)26(32)29-16-22-33-24-25-34-23-21-30-17-19-31(20-18-30)27(4,5)14-11-8-2/h7-25H2,1-6H3,(H,29,32).
What are the key properties of 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide?
2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide has a molecular weight of 483.78 g/mol, XLogP of 5.11, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide is sourced from PubChem (CID 170250635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).