3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

C15H20N4O — CID 71863839

IUPAC3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCC(C)C(C(=O)NCCc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-11(2)14(12-6-4-3-5-7-12)15(20)16-9-8-13-17-10-18-19-13/h3-7,10-11,14H,8-9H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyNWVNHMAQIBETNP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.90
Rot. Bonds6

About 3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (PubChem CID 71863839) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
PubChem CID71863839
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCC(C)C(C(=O)NCCc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-11(2)14(12-6-4-3-5-7-12)15(20)16-9-8-13-17-10-18-19-13/h3-7,10-11,14H,8-9H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyNWVNHMAQIBETNP-UHFFFAOYSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (CID 71863839) is 3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is CC(C)C(C(=O)NCCc1ncn[nH]1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The InChIKey is NWVNHMAQIBETNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)14(12-6-4-3-5-7-12)15(20)16-9-8-13-17-10-18-19-13/h3-7,10-11,14H,8-9H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 71863839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).