N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide

C20H22N4O3 — CID 121116243

IUPACN-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCn2nc(-c3ccco3)n(C3CC3)c2=O)c1
InChIInChI=1S/C20H22N4O3/c1-14-4-2-5-15(12-14)13-18(25)21-9-10-23-20(26)24(16-7-8-16)19(22-23)17-6-3-11-27-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,21,25)
InChIKeyRBQOLVYQMQNGJW-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.31
Rot. Bonds7

About N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide

N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 121116243) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide
PubChem CID121116243
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCn2nc(-c3ccco3)n(C3CC3)c2=O)c1
InChIInChI=1S/C20H22N4O3/c1-14-4-2-5-15(12-14)13-18(25)21-9-10-23-20(26)24(16-7-8-16)19(22-23)17-6-3-11-27-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,21,25)
InChIKeyRBQOLVYQMQNGJW-UHFFFAOYSA-N
XLogP2.31
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide (CID 121116243) is N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCn2nc(-c3ccco3)n(C3CC3)c2=O)c1.
What is the InChIKey of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is RBQOLVYQMQNGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-4-2-5-15(12-14)13-18(25)21-9-10-23-20(26)24(16-7-8-16)19(22-23)17-6-3-11-27-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,21,25).
What are the key properties of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 121116243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).