2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide

C9H14N2O2 — CID 102684534

IUPAC2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
SMILESN#CCC(=O)N(CCO)C1CCC1
InChIInChI=1S/C9H14N2O2/c10-5-4-9(13)11(6-7-12)8-2-1-3-8/h8,12H,1-4,6-7H2
InChIKeyLPARLHPKOSEKQG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.27
Rot. Bonds4

About 2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide

2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide (PubChem CID 102684534) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
PubChem CID102684534
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
SMILESN#CCC(=O)N(CCO)C1CCC1
InChIInChI=1S/C9H14N2O2/c10-5-4-9(13)11(6-7-12)8-2-1-3-8/h8,12H,1-4,6-7H2
InChIKeyLPARLHPKOSEKQG-UHFFFAOYSA-N
XLogP0.27
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-cyano-N-cyclopropylacetamide
CID 61443044
N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 102875349
N-cyclobutyl-2-(dimethylamino)-N-(2-hydroxyethyl)acetamide
CID 102685214
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N,2-dicyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576624
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107026376
N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide
CID 54999160
2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 63679872
1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 80598505
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
2-[acetyl(methyl)amino]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102684108

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide (CID 102684534) is 2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide is N#CCC(=O)N(CCO)C1CCC1.
What is the InChIKey of 2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is LPARLHPKOSEKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-5-4-9(13)11(6-7-12)8-2-1-3-8/h8,12H,1-4,6-7H2.
What are the key properties of 2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 182.22 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 102684534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).