N-(2-cyanoethyl)-2-methoxyacetamide

C6H10N2O2 — CID 60668880

IUPACN-(2-cyanoethyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCC#N
InChIInChI=1S/C6H10N2O2/c1-10-5-6(9)8-4-2-3-7/h2,4-5H2,1H3,(H,8,9)
InChIKeyUCQDAMXPPNIZBJ-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.34
Rot. Bonds4

About N-(2-cyanoethyl)-2-methoxyacetamide

N-(2-cyanoethyl)-2-methoxyacetamide (PubChem CID 60668880) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-methoxyacetamide
PubChem CID60668880
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-(2-cyanoethyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCC#N
InChIInChI=1S/C6H10N2O2/c1-10-5-6(9)8-4-2-3-7/h2,4-5H2,1H3,(H,8,9)
InChIKeyUCQDAMXPPNIZBJ-UHFFFAOYSA-N
XLogP-0.34
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)butanamide
CID 14899794
N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
CID 60975251
methyl 4-[2-(2-cyanoethylamino)-2-oxoethoxy]cyclohexane-1-carboxylate
CID 114450847
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365
1-(2-cyanoethyl)-3-methoxyurea
CID 130650869
[2-(2-cyanoethylamino)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 8020916
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
ethane;N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 156794805
N-(3-cyanopropyl)-2-ethoxyacetamide
CID 62668485
4-[2-(2-cyanoethylamino)-2-oxoethoxy]-3,5-dimethylbenzoic acid
CID 28932954
N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 114164681
2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide
CID 103716164

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-methoxyacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-methoxyacetamide (CID 60668880) is N-(2-cyanoethyl)-2-methoxyacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-methoxyacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-methoxyacetamide is COCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-methoxyacetamide?
The InChIKey is UCQDAMXPPNIZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-10-5-6(9)8-4-2-3-7/h2,4-5H2,1H3,(H,8,9).
What are the key properties of N-(2-cyanoethyl)-2-methoxyacetamide?
N-(2-cyanoethyl)-2-methoxyacetamide has a molecular weight of 142.16 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-methoxyacetamide is sourced from PubChem (CID 60668880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).