2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide

C14H24N4O2 — CID 71970064

IUPAC2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(OC1CCCCCC1)C(=O)NCc1nncn1C
InChIInChI=1S/C14H24N4O2/c1-11(20-12-7-5-3-4-6-8-12)14(19)15-9-13-17-16-10-18(13)2/h10-12H,3-9H2,1-2H3,(H,15,19)
InChIKeySNMUETOCJCUWNA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.56
Rot. Bonds5

About 2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide

2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 71970064) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID71970064
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(OC1CCCCCC1)C(=O)NCc1nncn1C
InChIInChI=1S/C14H24N4O2/c1-11(20-12-7-5-3-4-6-8-12)14(19)15-9-13-17-16-10-18(13)2/h10-12H,3-9H2,1-2H3,(H,15,19)
InChIKeySNMUETOCJCUWNA-UHFFFAOYSA-N
XLogP1.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.56
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-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 71970064) is 2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide is CC(OC1CCCCCC1)C(=O)NCc1nncn1C.
What is the InChIKey of 2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is SNMUETOCJCUWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(20-12-7-5-3-4-6-8-12)14(19)15-9-13-17-16-10-18(13)2/h10-12H,3-9H2,1-2H3,(H,15,19).
What are the key properties of 2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.56, 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-methyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 71970064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).