2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide

C15H20N4O2 — CID 53090224

IUPAC2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCc1nc(C(C)C)n[nH]1
InChIInChI=1S/C15H20N4O2/c1-10(2)14-17-13(18-19-14)8-9-16-15(20)11-6-4-5-7-12(11)21-3/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyNCLUPTOLRFYKLG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.91
Rot. Bonds6

About 2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide

2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 53090224) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID53090224
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCc1nc(C(C)C)n[nH]1
InChIInChI=1S/C15H20N4O2/c1-10(2)14-17-13(18-19-14)8-9-16-15(20)11-6-4-5-7-12(11)21-3/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyNCLUPTOLRFYKLG-UHFFFAOYSA-N
XLogP1.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 53090224) is 2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide is COc1ccccc1C(=O)NCCc1nc(C(C)C)n[nH]1.
What is the InChIKey of 2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is NCLUPTOLRFYKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)14-17-13(18-19-14)8-9-16-15(20)11-6-4-5-7-12(11)21-3/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 53090224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).