N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide

C14H19N5O2 — CID 66192499

IUPACN-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide
SMILESCNCc1cn(CCC(=O)Nc2ccccc2OC)nn1
InChIInChI=1S/C14H19N5O2/c1-15-9-11-10-19(18-17-11)8-7-14(20)16-12-5-3-4-6-13(12)21-2/h3-6,10,15H,7-9H2,1-2H3,(H,16,20)
InChIKeyQWJIDOYPFDBPHV-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.03
Rot. Bonds7

About N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide

N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide (PubChem CID 66192499) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide
PubChem CID66192499
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide
SMILESCNCc1cn(CCC(=O)Nc2ccccc2OC)nn1
InChIInChI=1S/C14H19N5O2/c1-15-9-11-10-19(18-17-11)8-7-14(20)16-12-5-3-4-6-13(12)21-2/h3-6,10,15H,7-9H2,1-2H3,(H,16,20)
InChIKeyQWJIDOYPFDBPHV-UHFFFAOYSA-N
XLogP1.03
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 116642054
N-(2-methoxyphenyl)-3-(methylamino)propanamide
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2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
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3-[4-(aminomethyl)triazol-1-yl]-N-(2-chlorophenyl)propanamide
CID 55029571
N-(2-methoxyphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
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3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
6-hydroxy-3-[1-[3-(2-methoxyanilino)-3-oxopropyl]triazol-4-yl]-2-phenyl-1-benzofuran-5-carboxylic acid
CID 46867228
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
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2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
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CID 100789518

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide (CID 66192499) is N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide is CNCc1cn(CCC(=O)Nc2ccccc2OC)nn1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide?
The InChIKey is QWJIDOYPFDBPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-15-9-11-10-19(18-17-11)8-7-14(20)16-12-5-3-4-6-13(12)21-2/h3-6,10,15H,7-9H2,1-2H3,(H,16,20).
What are the key properties of N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide?
N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide has a molecular weight of 289.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 66192499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).