N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

C17H18N4O2 — CID 53168854

IUPACN-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(Cc2nc(CC(=O)NCc3ccco3)n[nH]2)c1
InChIInChI=1S/C17H18N4O2/c1-12-4-2-5-13(8-12)9-15-19-16(21-20-15)10-17(22)18-11-14-6-3-7-23-14/h2-8H,9-11H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyKLGCUBDJGBYYPP-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.16
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 53168854) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID53168854
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(Cc2nc(CC(=O)NCc3ccco3)n[nH]2)c1
InChIInChI=1S/C17H18N4O2/c1-12-4-2-5-13(8-12)9-15-19-16(21-20-15)10-17(22)18-11-14-6-3-7-23-14/h2-8H,9-11H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyKLGCUBDJGBYYPP-UHFFFAOYSA-N
XLogP2.16
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide
CID 46354885
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53168923
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113040689
N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42876342
N-benzyl-2-[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 43831805
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (CID 53168854) is N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is Cc1cccc(Cc2nc(CC(=O)NCc3ccco3)n[nH]2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is KLGCUBDJGBYYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-4-2-5-13(8-12)9-15-19-16(21-20-15)10-17(22)18-11-14-6-3-7-23-14/h2-8H,9-11H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 53168854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).