2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide

C14H24N2O — CID 115188708

IUPAC2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide
SMILESCC(C)C(C#N)C(=O)NCC(C)(C)C1CCC1
InChIInChI=1S/C14H24N2O/c1-10(2)12(8-15)13(17)16-9-14(3,4)11-6-5-7-11/h10-12H,5-7,9H2,1-4H3,(H,16,17)
InChIKeyLDHDUOZMSKVAKX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.72
Rot. Bonds5

About 2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide

2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide (PubChem CID 115188708) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide
PubChem CID115188708
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide
SMILESCC(C)C(C#N)C(=O)NCC(C)(C)C1CCC1
InChIInChI=1S/C14H24N2O/c1-10(2)12(8-15)13(17)16-9-14(3,4)11-6-5-7-11/h10-12H,5-7,9H2,1-4H3,(H,16,17)
InChIKeyLDHDUOZMSKVAKX-UHFFFAOYSA-N
XLogP2.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide
CID 115187449
2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142651
2-chloro-N-(2-cyclopropyl-2-methylpropyl)propanamide
CID 165463616
1-cyano-N-(2-cyclobutyl-2-methylpropyl)cyclopropane-1-carboxamide
CID 115181795
2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide
CID 114164878
N-(2-cyclobutyl-2-methylpropyl)-2-(methylaminomethyl)butanamide
CID 115189025
N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide
CID 115186801
2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 63243648
N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
CID 115167608
3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
CID 115154472
3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
CID 115174087
2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide
CID 63706504

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide?
The IUPAC name of 2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide (CID 115188708) is 2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide?
The canonical SMILES for 2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide is CC(C)C(C#N)C(=O)NCC(C)(C)C1CCC1.
What is the InChIKey of 2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide?
The InChIKey is LDHDUOZMSKVAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)12(8-15)13(17)16-9-14(3,4)11-6-5-7-11/h10-12H,5-7,9H2,1-4H3,(H,16,17).
What are the key properties of 2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide?
2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide has a molecular weight of 236.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide is sourced from PubChem (CID 115188708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).