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

C18H24N4O3 — CID 75473078

IUPACN-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2ncn(C)c2=O)c(OC2CCCC2)c1
InChIInChI=1S/C18H24N4O3/c1-13-7-8-14(16(9-13)25-15-5-3-4-6-15)10-19-17(23)11-22-18(24)21(2)12-20-22/h7-9,12,15H,3-6,10-11H2,1-2H3,(H,19,23)
InChIKeyLFAJBJYJZZSLQV-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.53
Rot. Bonds6

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

N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 75473078) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID75473078
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2ncn(C)c2=O)c(OC2CCCC2)c1
InChIInChI=1S/C18H24N4O3/c1-13-7-8-14(16(9-13)25-15-5-3-4-6-15)10-19-17(23)11-22-18(24)21(2)12-20-22/h7-9,12,15H,3-6,10-11H2,1-2H3,(H,19,23)
InChIKeyLFAJBJYJZZSLQV-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 75473078) is N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cc1ccc(CNC(=O)Cn2ncn(C)c2=O)c(OC2CCCC2)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is LFAJBJYJZZSLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-7-8-14(16(9-13)25-15-5-3-4-6-15)10-19-17(23)11-22-18(24)21(2)12-20-22/h7-9,12,15H,3-6,10-11H2,1-2H3,(H,19,23).
What are the key properties of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 75473078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).