N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide

C20H22N4O2 — CID 42645334

IUPACN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2ccnn2)c1
InChIInChI=1S/C20H22N4O2/c1-14-4-6-16(7-5-14)17-10-18(20(25)22-15(2)13-26-3)12-19(11-17)24-9-8-21-23-24/h4-12,15H,13H2,1-3H3,(H,22,25)
InChIKeyLVXVUAJCJLHBNK-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.01
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide

N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide (PubChem CID 42645334) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
PubChem CID42645334
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2ccnn2)c1
InChIInChI=1S/C20H22N4O2/c1-14-4-6-16(7-5-14)17-10-18(20(25)22-15(2)13-26-3)12-19(11-17)24-9-8-21-23-24/h4-12,15H,13H2,1-3H3,(H,22,25)
InChIKeyLVXVUAJCJLHBNK-UHFFFAOYSA-N
XLogP3.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide (CID 42645334) is N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide is COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2ccnn2)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide?
The InChIKey is LVXVUAJCJLHBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-4-6-16(7-5-14)17-10-18(20(25)22-15(2)13-26-3)12-19(11-17)24-9-8-21-23-24/h4-12,15H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide?
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide is sourced from PubChem (CID 42645334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).