2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

C21H24N4O2 — CID 55826048

IUPAC2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C21H24N4O2/c1-4-14(2)18-10-5-6-11-19(18)27-13-20(26)23-17-9-7-8-16(12-17)21-22-15(3)24-25-21/h5-12,14H,4,13H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyYKFDHYAZVCUHPN-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.31
Rot. Bonds7

About 2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 55826048) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID55826048
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C21H24N4O2/c1-4-14(2)18-10-5-6-11-19(18)27-13-20(26)23-17-9-7-8-16(12-17)21-22-15(3)24-25-21/h5-12,14H,4,13H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyYKFDHYAZVCUHPN-UHFFFAOYSA-N
XLogP4.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131949596
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 55825534
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide
CID 7315892
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 54862667
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (CID 55826048) is 2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is CCC(C)c1ccccc1OCC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is YKFDHYAZVCUHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-14(2)18-10-5-6-11-19(18)27-13-20(26)23-17-9-7-8-16(12-17)21-22-15(3)24-25-21/h5-12,14H,4,13H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 55826048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).