2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide

C10H18N2O2 — CID 63264564

IUPAC2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)NC(C)CO
InChIInChI=1S/C10H18N2O2/c1-4-10(5-2,7-11)9(14)12-8(3)6-13/h8,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyAGVLBULXMWTXAE-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.81
Rot. Bonds5

About 2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide

2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide (PubChem CID 63264564) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide
PubChem CID63264564
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)NC(C)CO
InChIInChI=1S/C10H18N2O2/c1-4-10(5-2,7-11)9(14)12-8(3)6-13/h8,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyAGVLBULXMWTXAE-UHFFFAOYSA-N
XLogP0.81
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide (CID 63264564) is 2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide is CCC(C#N)(CC)C(=O)NC(C)CO.
What is the InChIKey of 2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide?
The InChIKey is AGVLBULXMWTXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-10(5-2,7-11)9(14)12-8(3)6-13/h8,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide?
2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide has a molecular weight of 198.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide is sourced from PubChem (CID 63264564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).