N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide

C19H20N4O2 — CID 86788144

IUPACN-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide
SMILESCOc1ccccc1CCN(C)C(=O)c1ccccc1-n1ccnn1
InChIInChI=1S/C19H20N4O2/c1-22(13-11-15-7-3-6-10-18(15)25-2)19(24)16-8-4-5-9-17(16)23-14-12-20-21-23/h3-10,12,14H,11,13H2,1-2H3
InChIKeyULCDUTJDLXMBMN-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.59
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide

N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide (PubChem CID 86788144) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide
PubChem CID86788144
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide
SMILESCOc1ccccc1CCN(C)C(=O)c1ccccc1-n1ccnn1
InChIInChI=1S/C19H20N4O2/c1-22(13-11-15-7-3-6-10-18(15)25-2)19(24)16-8-4-5-9-17(16)23-14-12-20-21-23/h3-10,12,14H,11,13H2,1-2H3
InChIKeyULCDUTJDLXMBMN-UHFFFAOYSA-N
XLogP2.59
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84512305
3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 119121687
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide
CID 115172715
2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86892040
N-[2-(2-methoxyphenyl)ethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119776514
2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188455
1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone
CID 178069289
2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 111538086
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide (CID 86788144) is N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide is COc1ccccc1CCN(C)C(=O)c1ccccc1-n1ccnn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide?
The InChIKey is ULCDUTJDLXMBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22(13-11-15-7-3-6-10-18(15)25-2)19(24)16-8-4-5-9-17(16)23-14-12-20-21-23/h3-10,12,14H,11,13H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide?
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide is sourced from PubChem (CID 86788144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).