N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide

C18H22N4O — CID 71918911

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide
SMILESCc1ccc(C(NC(=O)Cn2cc(C3CC3)nn2)C2CC2)cc1
InChIInChI=1S/C18H22N4O/c1-12-2-4-14(5-3-12)18(15-8-9-15)19-17(23)11-22-10-16(20-21-22)13-6-7-13/h2-5,10,13,15,18H,6-9,11H2,1H3,(H,19,23)
InChIKeyCCFBZLDLHKIDKY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.73
Rot. Bonds6

About N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide

N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide (PubChem CID 71918911) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide
PubChem CID71918911
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide
SMILESCc1ccc(C(NC(=O)Cn2cc(C3CC3)nn2)C2CC2)cc1
InChIInChI=1S/C18H22N4O/c1-12-2-4-14(5-3-12)18(15-8-9-15)19-17(23)11-22-10-16(20-21-22)13-6-7-13/h2-5,10,13,15,18H,6-9,11H2,1H3,(H,19,23)
InChIKeyCCFBZLDLHKIDKY-UHFFFAOYSA-N
XLogP2.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide (CID 71918911) is N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide is Cc1ccc(C(NC(=O)Cn2cc(C3CC3)nn2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide?
The InChIKey is CCFBZLDLHKIDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-2-4-14(5-3-12)18(15-8-9-15)19-17(23)11-22-10-16(20-21-22)13-6-7-13/h2-5,10,13,15,18H,6-9,11H2,1H3,(H,19,23).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide is sourced from PubChem (CID 71918911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).