N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide

C8H17NO4 — CID 12621273

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide
SMILESCOCCOCCOCCNC=O
InChIInChI=1S/C8H17NO4/c1-11-4-5-13-7-6-12-3-2-9-8-10/h8H,2-7H2,1H3,(H,9,10)
InChIKeyWBXRGXRTHMHNQH-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.59
Rot. Bonds10

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide (PubChem CID 12621273) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide
PubChem CID12621273
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide
SMILESCOCCOCCOCCNC=O
InChIInChI=1S/C8H17NO4/c1-11-4-5-13-7-6-12-3-2-9-8-10/h8H,2-7H2,1H3,(H,9,10)
InChIKeyWBXRGXRTHMHNQH-UHFFFAOYSA-N
XLogP-0.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide (CID 12621273) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide is COCCOCCOCCNC=O.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide?
The InChIKey is WBXRGXRTHMHNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-11-4-5-13-7-6-12-3-2-9-8-10/h8H,2-7H2,1H3,(H,9,10).
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide has a molecular weight of 191.23 g/mol, XLogP of -0.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]formamide is sourced from PubChem (CID 12621273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).