N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide

C12H22N2O — CID 58434930

IUPACN-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCC#N)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-6-10(2)11(15)14(9-7-8-13)12(3,4)5/h10H,6-7,9H2,1-5H3
InChIKeyAHFCDHYSPSSJGF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.57
Rot. Bonds4

About N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide

N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide (PubChem CID 58434930) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide
PubChem CID58434930
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCC#N)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-6-10(2)11(15)14(9-7-8-13)12(3,4)5/h10H,6-7,9H2,1-5H3
InChIKeyAHFCDHYSPSSJGF-UHFFFAOYSA-N
XLogP2.57
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide?
The IUPAC name of N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide (CID 58434930) is N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide.
What is the SMILES notation for N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide?
The canonical SMILES for N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide is CCC(C)C(=O)N(CCC#N)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide?
The InChIKey is AHFCDHYSPSSJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-10(2)11(15)14(9-7-8-13)12(3,4)5/h10H,6-7,9H2,1-5H3.
What are the key properties of N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide?
N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide has a molecular weight of 210.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide is sourced from PubChem (CID 58434930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).