3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide

C19H20N4O — CID 121177290

IUPAC3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCn1nccn1
InChIInChI=1S/C19H20N4O/c24-19(20-13-14-23-21-11-12-22-23)15-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,18H,13-15H2,(H,20,24)
InChIKeySZFJOOUJRGGDKU-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.62
Rot. Bonds7

About 3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide

3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide (PubChem CID 121177290) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide
PubChem CID121177290
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCn1nccn1
InChIInChI=1S/C19H20N4O/c24-19(20-13-14-23-21-11-12-22-23)15-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,18H,13-15H2,(H,20,24)
InChIKeySZFJOOUJRGGDKU-UHFFFAOYSA-N
XLogP2.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide?
The IUPAC name of 3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide (CID 121177290) is 3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide is O=C(CC(c1ccccc1)c1ccccc1)NCCn1nccn1.
What is the InChIKey of 3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide?
The InChIKey is SZFJOOUJRGGDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(20-13-14-23-21-11-12-22-23)15-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,18H,13-15H2,(H,20,24).
What are the key properties of 3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide?
3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide has a molecular weight of 320.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 121177290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).