2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide

C12H25NO4S — CID 175791265

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide
SMILESCCOCCOCCOCC(=O)NCC(C)(C)S
InChIInChI=1S/C12H25NO4S/c1-4-15-5-6-16-7-8-17-9-11(14)13-10-12(2,3)18/h18H,4-10H2,1-3H3,(H,13,14)
InChIKeyRCEIEKUNYZUFIG-UHFFFAOYSA-N
MW279.40 g/mol
LogP0.88
Rot. Bonds11

About 2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide

2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide (PubChem CID 175791265) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide
PubChem CID175791265
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide
SMILESCCOCCOCCOCC(=O)NCC(C)(C)S
InChIInChI=1S/C12H25NO4S/c1-4-15-5-6-16-7-8-17-9-11(14)13-10-12(2,3)18/h18H,4-10H2,1-3H3,(H,13,14)
InChIKeyRCEIEKUNYZUFIG-UHFFFAOYSA-N
XLogP0.88
TPSA56.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(2-ethoxyethoxy)acetamide
CID 119626722
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide
CID 115364825
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
CID 90261180
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-methylacetamide
CID 139325518
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727684
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide
CID 106254886
N-(2-ethyl-2-hydroxybutyl)-2-(2-methoxyethoxy)acetamide
CID 65113876
N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide
CID 106143075
tert-butyl N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 87598465
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide
CID 107939067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide (CID 175791265) is 2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide is CCOCCOCCOCC(=O)NCC(C)(C)S.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide?
The InChIKey is RCEIEKUNYZUFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-4-15-5-6-16-7-8-17-9-11(14)13-10-12(2,3)18/h18H,4-10H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide?
2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide has a molecular weight of 279.40 g/mol, XLogP of 0.88, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide is sourced from PubChem (CID 175791265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).