2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide

C7H12N2O3 — CID 22689004

IUPAC2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESN#CCC(=O)NCCOCCO
InChIInChI=1S/C7H12N2O3/c8-2-1-7(11)9-3-5-12-6-4-10/h10H,1,3-6H2,(H,9,11)
InChIKeyDQFCIBQTDMPEQR-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.97
Rot. Bonds6

About 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide

2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide (PubChem CID 22689004) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide
PubChem CID22689004
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESN#CCC(=O)NCCOCCO
InChIInChI=1S/C7H12N2O3/c8-2-1-7(11)9-3-5-12-6-4-10/h10H,1,3-6H2,(H,9,11)
InChIKeyDQFCIBQTDMPEQR-UHFFFAOYSA-N
XLogP-0.97
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.97
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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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide (CID 22689004) is 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide is N#CCC(=O)NCCOCCO.
What is the InChIKey of 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The InChIKey is DQFCIBQTDMPEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-2-1-7(11)9-3-5-12-6-4-10/h10H,1,3-6H2,(H,9,11).
What are the key properties of 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide has a molecular weight of 172.18 g/mol, XLogP of -0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-hydroxyethoxy)ethyl]acetamide is sourced from PubChem (CID 22689004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).