N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide

C19H20N4O2 — CID 91647168

IUPACN-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide
SMILESCCn1c(C)nnc1COc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H20N4O2/c1-3-23-14(2)21-22-18(23)13-25-17-11-7-10-16(12-17)20-19(24)15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3,(H,20,24)
InChIKeyIWEJKSQQZWJUGP-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.44
Rot. Bonds6

About N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide

N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide (PubChem CID 91647168) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide
PubChem CID91647168
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide
SMILESCCn1c(C)nnc1COc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H20N4O2/c1-3-23-14(2)21-22-18(23)13-25-17-11-7-10-16(12-17)20-19(24)15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3,(H,20,24)
InChIKeyIWEJKSQQZWJUGP-UHFFFAOYSA-N
XLogP3.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
The IUPAC name of N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide (CID 91647168) is N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
The canonical SMILES for N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide is CCn1c(C)nnc1COc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
The InChIKey is IWEJKSQQZWJUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-23-14(2)21-22-18(23)13-25-17-11-7-10-16(12-17)20-19(24)15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3,(H,20,24).
What are the key properties of N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 91647168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).