2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide

C11H20N2O — CID 114291087

IUPAC2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide
SMILESCCN(C(=O)C(C)(C#N)CC)C(C)C
InChIInChI=1S/C11H20N2O/c1-6-11(5,8-12)10(14)13(7-2)9(3)4/h9H,6-7H2,1-5H3
InChIKeyCURLFAGYMMWCFZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.18
Rot. Bonds4

About 2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide

2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide (PubChem CID 114291087) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide
PubChem CID114291087
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide
SMILESCCN(C(=O)C(C)(C#N)CC)C(C)C
InChIInChI=1S/C11H20N2O/c1-6-11(5,8-12)10(14)13(7-2)9(3)4/h9H,6-7H2,1-5H3
InChIKeyCURLFAGYMMWCFZ-UHFFFAOYSA-N
XLogP2.18
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide
CID 114291419
2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
methyl 3-[(2-cyano-2-methylbutanoyl)-methylamino]-2-methylpropanoate
CID 114291326
methyl 2-[(2-cyano-2-methylbutanoyl)-ethylamino]acetate
CID 114291310
2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide
CID 114291675
N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide
CID 114292631
2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide
CID 114291393
2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 114291307
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 114291471
N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide
CID 114291231
2-cyano-2-methyl-N-(2-methylbutyl)butanamide
CID 114291439

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide (CID 114291087) is 2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide is CCN(C(=O)C(C)(C#N)CC)C(C)C.
What is the InChIKey of 2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide?
The InChIKey is CURLFAGYMMWCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-11(5,8-12)10(14)13(7-2)9(3)4/h9H,6-7H2,1-5H3.
What are the key properties of 2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide?
2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide has a molecular weight of 196.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 114291087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).