2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide

C13H22N2O3 — CID 113450296

IUPAC2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCCC(C#N)(CC)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C13H22N2O3/c1-4-12(5-2,8-14)11(16)15-9-13(17-3)6-7-18-10-13/h4-7,9-10H2,1-3H3,(H,15,16)
InChIKeyOCVTXKIGOAARJT-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.24
Rot. Bonds6

About 2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide

2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide (PubChem CID 113450296) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
PubChem CID113450296
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCCC(C#N)(CC)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C13H22N2O3/c1-4-12(5-2,8-14)11(16)15-9-13(17-3)6-7-18-10-13/h4-7,9-10H2,1-3H3,(H,15,16)
InChIKeyOCVTXKIGOAARJT-UHFFFAOYSA-N
XLogP1.24
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(1,4-dioxan-2-ylmethyl)-2-ethylbutanamide
CID 61842187
2-cyano-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 61842249
2-cyano-2-ethyl-N-(oxolan-3-ylmethyl)butanamide
CID 62825408
2-cyano-2-ethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide
CID 80171633
2-cyano-2-ethyl-N-(oxolan-3-yl)butanamide
CID 80713713
2-cyano-2-ethyl-N-(2-methyloxolan-3-yl)butanamide
CID 82728583
1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 104708953
2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 104708975
1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 104708976
4-cyano-N-[(3-methoxyoxolan-3-yl)methyl]oxane-4-carboxamide
CID 104708983
1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide
CID 104708984
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide (CID 113450296) is 2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide is CCC(C#N)(CC)C(=O)NCC1(OC)CCOC1.
What is the InChIKey of 2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The InChIKey is OCVTXKIGOAARJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-12(5-2,8-14)11(16)15-9-13(17-3)6-7-18-10-13/h4-7,9-10H2,1-3H3,(H,15,16).
What are the key properties of 2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide has a molecular weight of 254.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 113450296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).