2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide

C14H24N2O2 — CID 114115162

IUPAC2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide
SMILESCCC(C#N)(CC)C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C14H24N2O2/c1-4-14(5-2,10-15)13(17)16-11(3)12-6-8-18-9-7-12/h11-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyHNYIESOSYPGBJG-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.25
Rot. Bonds5

About 2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide

2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide (PubChem CID 114115162) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide
PubChem CID114115162
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide
SMILESCCC(C#N)(CC)C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C14H24N2O2/c1-4-14(5-2,10-15)13(17)16-11(3)12-6-8-18-9-7-12/h11-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyHNYIESOSYPGBJG-UHFFFAOYSA-N
XLogP2.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide
CID 104854861
4-cyano-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide
CID 115491629
4-cyano-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxane-4-carboxamide
CID 122135797
4-cyano-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]oxane-4-carboxamide
CID 124615081
4-cyano-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]oxane-4-carboxamide
CID 124615082
N-(1-aminopropan-2-yl)oxane-4-carboxamide
CID 19797577
N-[(2R)-1-aminopropan-2-yl]oxane-4-carboxamide
CID 54071869
N-[(2S)-1-aminopropan-2-yl]oxane-4-carboxamide
CID 54071870
2-ethyl-N-(oxan-4-yl)butanamide
CID 57685007
N-isopropyltetrahydro-2H-pyran-4-carboxamide
CID 58140151
3,3-dimethyl-N-(oxan-4-yl)butanamide
CID 58394650
3-methyl-N-(oxan-4-ylmethyl)butanamide
CID 59665174

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide (CID 114115162) is 2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide is CCC(C#N)(CC)C(=O)NC(C)C1CCOCC1.
What is the InChIKey of 2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide?
The InChIKey is HNYIESOSYPGBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-14(5-2,10-15)13(17)16-11(3)12-6-8-18-9-7-12/h11-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide?
2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide has a molecular weight of 252.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide is sourced from PubChem (CID 114115162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).