N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide

C13H16N4O4 — CID 175482811

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2n[nH]c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C13H16N4O4/c1-20-9-4-3-8(10(5-9)21-2)7-14-12(18)6-11-15-13(19)17-16-11/h3-5H,6-7H2,1-2H3,(H,14,18)(H2,15,16,17,19)
InChIKeyYSRACFCRESBGHP-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.03
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide

N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide (PubChem CID 175482811) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
PubChem CID175482811
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2n[nH]c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C13H16N4O4/c1-20-9-4-3-8(10(5-9)21-2)7-14-12(18)6-11-15-13(19)17-16-11/h3-5H,6-7H2,1-2H3,(H,14,18)(H2,15,16,17,19)
InChIKeyYSRACFCRESBGHP-UHFFFAOYSA-N
XLogP-0.03
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide
CID 55577746
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762837
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303370
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide (CID 175482811) is N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide is COc1ccc(CNC(=O)Cc2n[nH]c(=O)[nH]2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
The InChIKey is YSRACFCRESBGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-20-9-4-3-8(10(5-9)21-2)7-14-12(18)6-11-15-13(19)17-16-11/h3-5H,6-7H2,1-2H3,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide has a molecular weight of 292.30 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 175482811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).