N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide

C12H21N3O2 — CID 71853215

IUPACN-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)N(CC#N)C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-9(2)15(7-6-13)10(16)8-14-11(17)12(3,4)5/h9H,7-8H2,1-5H3,(H,14,17)
InChIKeyGSVKSHTURVXGJX-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.91
Rot. Bonds4

About N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 71853215) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID71853215
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)N(CC#N)C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-9(2)15(7-6-13)10(16)8-14-11(17)12(3,4)5/h9H,7-8H2,1-5H3,(H,14,17)
InChIKeyGSVKSHTURVXGJX-UHFFFAOYSA-N
XLogP0.91
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 71853215) is N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)N(CC#N)C(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is GSVKSHTURVXGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)15(7-6-13)10(16)8-14-11(17)12(3,4)5/h9H,7-8H2,1-5H3,(H,14,17).
What are the key properties of N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71853215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).