2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide

C16H22N4O — CID 20564384

IUPAC2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)N(C(=O)C(c1ccccc1)n1cncn1)C(C)C
InChIInChI=1S/C16H22N4O/c1-12(2)20(13(3)4)16(21)15(19-11-17-10-18-19)14-8-6-5-7-9-14/h5-13,15H,1-4H3
InChIKeyFINGBMBHDUFXIO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.51
Rot. Bonds5

About 2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide

2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 20564384) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID20564384
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)N(C(=O)C(c1ccccc1)n1cncn1)C(C)C
InChIInChI=1S/C16H22N4O/c1-12(2)20(13(3)4)16(21)15(19-11-17-10-18-19)14-8-6-5-7-9-14/h5-13,15H,1-4H3
InChIKeyFINGBMBHDUFXIO-UHFFFAOYSA-N
XLogP2.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of 2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (CID 20564384) is 2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for 2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for 2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is CC(C)N(C(=O)C(c1ccccc1)n1cncn1)C(C)C.
What is the InChIKey of 2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FINGBMBHDUFXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)20(13(3)4)16(21)15(19-11-17-10-18-19)14-8-6-5-7-9-14/h5-13,15H,1-4H3.
What are the key properties of 2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 20564384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).