2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide

C18H24N4O2 — CID 127724371

IUPAC2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESCC(OC1CCCCCC1)C(=O)Nc1nncn1-c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-14(24-16-11-7-2-3-8-12-16)17(23)20-18-21-19-13-22(18)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,2-3,7-8,11-12H2,1H3,(H,20,21,23)
InChIKeyBWUOIKANNLEMNU-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.33
Rot. Bonds5

About 2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide

2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 127724371) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
PubChem CID127724371
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESCC(OC1CCCCCC1)C(=O)Nc1nncn1-c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-14(24-16-11-7-2-3-8-12-16)17(23)20-18-21-19-13-22(18)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,2-3,7-8,11-12H2,1H3,(H,20,21,23)
InChIKeyBWUOIKANNLEMNU-UHFFFAOYSA-N
XLogP3.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide (CID 127724371) is 2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide is CC(OC1CCCCCC1)C(=O)Nc1nncn1-c1ccccc1.
What is the InChIKey of 2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is BWUOIKANNLEMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(24-16-11-7-2-3-8-12-16)17(23)20-18-21-19-13-22(18)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,2-3,7-8,11-12H2,1H3,(H,20,21,23).
What are the key properties of 2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 127724371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).