N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide

C11H20N4O — CID 160790672

IUPACN-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide
SMILESCC(C)n1cc(CC(=O)NC(C)(C)C)nn1
InChIInChI=1S/C11H20N4O/c1-8(2)15-7-9(13-14-15)6-10(16)12-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,16)
InChIKeyWDVYJEPYBYEYDP-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.32
Rot. Bonds3

About N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide

N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide (PubChem CID 160790672) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide
PubChem CID160790672
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide
SMILESCC(C)n1cc(CC(=O)NC(C)(C)C)nn1
InChIInChI=1S/C11H20N4O/c1-8(2)15-7-9(13-14-15)6-10(16)12-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,16)
InChIKeyWDVYJEPYBYEYDP-UHFFFAOYSA-N
XLogP1.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide (CID 160790672) is N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide is CC(C)n1cc(CC(=O)NC(C)(C)C)nn1.
What is the InChIKey of N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide?
The InChIKey is WDVYJEPYBYEYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)15-7-9(13-14-15)6-10(16)12-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,16).
What are the key properties of N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide?
N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide has a molecular weight of 224.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide is sourced from PubChem (CID 160790672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).