N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide

C17H33NO4 — CID 162766798

IUPACN-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
SMILESCCC(=O)CCCCC(=O)NCCOCCOCCC(C)C
InChIInChI=1S/C17H33NO4/c1-4-16(19)7-5-6-8-17(20)18-10-12-22-14-13-21-11-9-15(2)3/h15H,4-14H2,1-3H3,(H,18,20)
InChIKeyGMHURGKGUBHWQQ-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.72
Rot. Bonds15

About N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide

N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide (PubChem CID 162766798) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
PubChem CID162766798
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC NameN-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
SMILESCCC(=O)CCCCC(=O)NCCOCCOCCC(C)C
InChIInChI=1S/C17H33NO4/c1-4-16(19)7-5-6-8-17(20)18-10-12-22-14-13-21-11-9-15(2)3/h15H,4-14H2,1-3H3,(H,18,20)
InChIKeyGMHURGKGUBHWQQ-UHFFFAOYSA-N
XLogP2.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide 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

5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
N-[2-(3-methylbutoxy)ethyl]-18-[4-(3-methylbutyl)piperazin-1-yl]-14-oxooctadecanamide
CID 159006304
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
4-(3-methylbutoxy)-N-(2-methylsulfanyloxyethyl)butanamide
CID 156820137
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide?
The IUPAC name of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide (CID 162766798) is N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide.
What is the SMILES notation for N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide?
The canonical SMILES for N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide is CCC(=O)CCCCC(=O)NCCOCCOCCC(C)C.
What is the InChIKey of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide?
The InChIKey is GMHURGKGUBHWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4/c1-4-16(19)7-5-6-8-17(20)18-10-12-22-14-13-21-11-9-15(2)3/h15H,4-14H2,1-3H3,(H,18,20).
What are the key properties of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide?
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide has a molecular weight of 315.45 g/mol, XLogP of 2.72, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide is sourced from PubChem (CID 162766798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).