1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide

C19H26N4O — CID 138996297

IUPAC1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC(C)c3nc(C(C)C)n[nH]3)CCC2)c1
InChIInChI=1S/C19H26N4O/c1-12(2)16-21-17(23-22-16)14(4)20-18(24)19(9-6-10-19)15-8-5-7-13(3)11-15/h5,7-8,11-12,14H,6,9-10H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyYQCWVBQOMMAOTM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.54
Rot. Bonds5

About 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide

1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 138996297) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID138996297
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC(C)c3nc(C(C)C)n[nH]3)CCC2)c1
InChIInChI=1S/C19H26N4O/c1-12(2)16-21-17(23-22-16)14(4)20-18(24)19(9-6-10-19)15-8-5-7-13(3)11-15/h5,7-8,11-12,14H,6,9-10H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyYQCWVBQOMMAOTM-UHFFFAOYSA-N
XLogP3.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide with MolForge

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 103801488
propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724219
1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 95164056
1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 16674426
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 86951201
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770758
N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 97072133
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide (CID 138996297) is 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide is Cc1cccc(C2(C(=O)NC(C)c3nc(C(C)C)n[nH]3)CCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is YQCWVBQOMMAOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)16-21-17(23-22-16)14(4)20-18(24)19(9-6-10-19)15-8-5-7-13(3)11-15/h5,7-8,11-12,14H,6,9-10H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 138996297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).