N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide

C16H22N4O3 — CID 110210992

IUPACN-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1cc(COc2ccc(OC)cc2)nn1
InChIInChI=1S/C16H22N4O3/c1-4-12(2)17-16(21)10-20-9-13(18-19-20)11-23-15-7-5-14(22-3)6-8-15/h5-9,12H,4,10-11H2,1-3H3,(H,17,21)
InChIKeySOXYIHGLYFDJOS-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.78
Rot. Bonds8

About N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide

N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide (PubChem CID 110210992) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
PubChem CID110210992
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1cc(COc2ccc(OC)cc2)nn1
InChIInChI=1S/C16H22N4O3/c1-4-12(2)17-16(21)10-20-9-13(18-19-20)11-23-15-7-5-14(22-3)6-8-15/h5-9,12H,4,10-11H2,1-3H3,(H,17,21)
InChIKeySOXYIHGLYFDJOS-UHFFFAOYSA-N
XLogP1.78
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830183
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide
CID 100830958
2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461255
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 100830453
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
2-[4-[[4-(3-hydroxybut-1-ynyl)phenoxy]methyl]triazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 172991397
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 138029887
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-methylbutanoate
CID 115459149
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194550

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide (CID 110210992) is N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide is CCC(C)NC(=O)Cn1cc(COc2ccc(OC)cc2)nn1.
What is the InChIKey of N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The InChIKey is SOXYIHGLYFDJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-12(2)17-16(21)10-20-9-13(18-19-20)11-23-15-7-5-14(22-3)6-8-15/h5-9,12H,4,10-11H2,1-3H3,(H,17,21).
What are the key properties of N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 110210992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).