N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide

C18H33NO4 — CID 154975000

IUPACN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
SMILESCC1CC2CC(CC(=O)NCCOCCOCCO)CC(C1)C2
InChIInChI=1S/C18H33NO4/c1-14-8-15-10-16(9-14)12-17(11-15)13-18(21)19-2-4-22-6-7-23-5-3-20/h14-17,20H,2-13H2,1H3,(H,19,21)
InChIKeyBZHSPCGWOVOBHS-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.98
Rot. Bonds10

About N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide

N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide (PubChem CID 154975000) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
PubChem CID154975000
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC NameN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
SMILESCC1CC2CC(CC(=O)NCCOCCOCCO)CC(C1)C2
InChIInChI=1S/C18H33NO4/c1-14-8-15-10-16(9-14)12-17(11-15)13-18(21)19-2-4-22-6-7-23-5-3-20/h14-17,20H,2-13H2,1H3,(H,19,21)
InChIKeyBZHSPCGWOVOBHS-UHFFFAOYSA-N
XLogP1.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390553
N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide
CID 166943535
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60747544
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
N-[2-(2-chloroethoxy)ethyl]-2-cyclobutylacetamide
CID 103166701
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
3-cyclopentyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60654438
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
2-(cyclopropylmethylamino)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 106310701

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide?
The IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide (CID 154975000) is N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide.
What is the SMILES notation for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide?
The canonical SMILES for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide is CC1CC2CC(CC(=O)NCCOCCOCCO)CC(C1)C2.
What is the InChIKey of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide?
The InChIKey is BZHSPCGWOVOBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-14-8-15-10-16(9-14)12-17(11-15)13-18(21)19-2-4-22-6-7-23-5-3-20/h14-17,20H,2-13H2,1H3,(H,19,21).
What are the key properties of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide?
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide has a molecular weight of 327.47 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide is sourced from PubChem (CID 154975000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).