N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide

C19H26N4O2 — CID 138029887

IUPACN-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
SMILESCc1ccc(OCc2cn(CC(=O)NC3CCCCCC3)nn2)cc1
InChIInChI=1S/C19H26N4O2/c1-15-8-10-18(11-9-15)25-14-17-12-23(22-21-17)13-19(24)20-16-6-4-2-3-5-7-16/h8-12,16H,2-7,13-14H2,1H3,(H,20,24)
InChIKeyJYWXPTIYKCRADY-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds6

About N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide

N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide (PubChem CID 138029887) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
PubChem CID138029887
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
SMILESCc1ccc(OCc2cn(CC(=O)NC3CCCCCC3)nn2)cc1
InChIInChI=1S/C19H26N4O2/c1-15-8-10-18(11-9-15)25-14-17-12-23(22-21-17)13-19(24)20-16-6-4-2-3-5-7-16/h8-12,16H,2-7,13-14H2,1H3,(H,20,24)
InChIKeyJYWXPTIYKCRADY-UHFFFAOYSA-N
XLogP3.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclohexyl-2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 652146
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100830161
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 100830453
N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 110210992

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide (CID 138029887) is N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide is Cc1ccc(OCc2cn(CC(=O)NC3CCCCCC3)nn2)cc1.
What is the InChIKey of N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide?
The InChIKey is JYWXPTIYKCRADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-8-10-18(11-9-15)25-14-17-12-23(22-21-17)13-19(24)20-16-6-4-2-3-5-7-16/h8-12,16H,2-7,13-14H2,1H3,(H,20,24).
What are the key properties of N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide?
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 138029887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).