N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C18H24N4O3 — CID 86783847

IUPACN-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NCc2cccc(OC3CCCCC3)c2)c1=O
InChIInChI=1S/C18H24N4O3/c1-21-13-20-22(18(21)24)12-17(23)19-11-14-6-5-9-16(10-14)25-15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,19,23)
InChIKeyIBANGYIATOHUHZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.61
Rot. Bonds6

About N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 86783847) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID86783847
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NCc2cccc(OC3CCCCC3)c2)c1=O
InChIInChI=1S/C18H24N4O3/c1-21-13-20-22(18(21)24)12-17(23)19-11-14-6-5-9-16(10-14)25-15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,19,23)
InChIKeyIBANGYIATOHUHZ-UHFFFAOYSA-N
XLogP1.61
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-cyclohexyloxyphenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86941957
N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 75473078
1-[(3-cyclohexyloxyphenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71990119
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
CID 86941840
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 86941859
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea
CID 86943146
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 86941910

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 86783847) is N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)NCc2cccc(OC3CCCCC3)c2)c1=O.
What is the InChIKey of N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is IBANGYIATOHUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21-13-20-22(18(21)24)12-17(23)19-11-14-6-5-9-16(10-14)25-15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,19,23).
What are the key properties of N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 86783847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).