2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide

C11H20N2O — CID 63960627

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

About 2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide

2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide (PubChem CID 63960627) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide
PubChem CID63960627
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide
SMILESCCC(C#N)C(=O)N(C)C(C)(C)CC
InChIInChI=1S/C11H20N2O/c1-6-9(8-12)10(14)13(5)11(3,4)7-2/h9H,6-7H2,1-5H3
InChIKeyRTIZEFXBKLJHPU-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-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide
CID 63964443
N-methyl-2-(methylamino)-N-(2-methylbutan-2-yl)propanamide
CID 63966379
2-cyano-N-(4-cyanophenyl)-N-methylbutanamide
CID 62981149
4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 64888587
(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509
1,3-dimethyl-1-(2-methylbutan-2-yl)thiourea
CID 116508734
4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63960210
2-cyano-N-(4-ethylsulfanylphenyl)-N-methylbutanamide
CID 115188241
N-tert-butyl-3-cyano-2-methylidenepentanamide
CID 140554454
N-methyl-N-(2-methylbutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 63965933
2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 55208257
2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547851

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide?
The IUPAC name of 2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide (CID 63960627) is 2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide?
The canonical SMILES for 2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide is CCC(C#N)C(=O)N(C)C(C)(C)CC.
What is the InChIKey of 2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide?
The InChIKey is RTIZEFXBKLJHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-9(8-12)10(14)13(5)11(3,4)7-2/h9H,6-7H2,1-5H3.
What are the key properties of 2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide?
2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide 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-methyl-N-(2-methylbutan-2-yl)butanamide is sourced from PubChem (CID 63960627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).