N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide

C23H28N4O — CID 164666332

IUPACN-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide
SMILESCCCCn1cc(C(C)(C)NC(=O)c2ccccc2-c2ccc(C)cc2)nn1
InChIInChI=1S/C23H28N4O/c1-5-6-15-27-16-21(25-26-27)23(3,4)24-22(28)20-10-8-7-9-19(20)18-13-11-17(2)12-14-18/h7-14,16H,5-6,15H2,1-4H3,(H,24,28)
InChIKeyCHPXCAFJJBUFCO-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.72
Rot. Bonds7

About N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide

N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide (PubChem CID 164666332) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide
PubChem CID164666332
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide
SMILESCCCCn1cc(C(C)(C)NC(=O)c2ccccc2-c2ccc(C)cc2)nn1
InChIInChI=1S/C23H28N4O/c1-5-6-15-27-16-21(25-26-27)23(3,4)24-22(28)20-10-8-7-9-19(20)18-13-11-17(2)12-14-18/h7-14,16H,5-6,15H2,1-4H3,(H,24,28)
InChIKeyCHPXCAFJJBUFCO-UHFFFAOYSA-N
XLogP4.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide?
The IUPAC name of N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide (CID 164666332) is N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide?
The canonical SMILES for N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide is CCCCn1cc(C(C)(C)NC(=O)c2ccccc2-c2ccc(C)cc2)nn1.
What is the InChIKey of N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide?
The InChIKey is CHPXCAFJJBUFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-5-6-15-27-16-21(25-26-27)23(3,4)24-22(28)20-10-8-7-9-19(20)18-13-11-17(2)12-14-18/h7-14,16H,5-6,15H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide?
N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methylphenyl)benzamide is sourced from PubChem (CID 164666332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).