N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide

C19H20N4O2 — CID 8891778

IUPACN-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-25-13-12-22(15-16-8-4-2-5-9-16)19(24)18-14-20-23(21-18)17-10-6-3-7-11-17/h2-11,14H,12-13,15H2,1H3
InChIKeyFCCIYDFAPISAIH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.56
Rot. Bonds7

About N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide

N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide (PubChem CID 8891778) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
PubChem CID8891778
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-25-13-12-22(15-16-8-4-2-5-9-16)19(24)18-14-20-23(21-18)17-10-6-3-7-11-17/h2-11,14H,12-13,15H2,1H3
InChIKeyFCCIYDFAPISAIH-UHFFFAOYSA-N
XLogP2.56
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 99146934
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
CID 115771807
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 26292074
N-benzyl-N-(2-methoxyethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27826735
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
2-[(2-phenyltriazole-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271201
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383
N-benzyl-6-methoxy-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 134031302

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide (CID 8891778) is N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide is COCCN(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is FCCIYDFAPISAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-13-12-22(15-16-8-4-2-5-9-16)19(24)18-14-20-23(21-18)17-10-6-3-7-11-17/h2-11,14H,12-13,15H2,1H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide?
N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 8891778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).