2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide

C14H19N5O2 — CID 116642158

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cc(CCN)nn2)c1
InChIInChI=1S/C14H19N5O2/c1-21-13-4-2-3-11(7-13)8-16-14(20)10-19-9-12(5-6-15)17-18-19/h2-4,7,9H,5-6,8,10,15H2,1H3,(H,16,20)
InChIKeyMUBFHYSEDWVWMF-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.10
Rot. Bonds7

About 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 116642158) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID116642158
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cc(CCN)nn2)c1
InChIInChI=1S/C14H19N5O2/c1-21-13-4-2-3-11(7-13)8-16-14(20)10-19-9-12(5-6-15)17-18-19/h2-4,7,9H,5-6,8,10,15H2,1H3,(H,16,20)
InChIKeyMUBFHYSEDWVWMF-UHFFFAOYSA-N
XLogP0.10
TPSA95.06 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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 114419801
2-[4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698658
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 52942112
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100830161
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 116642311
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 116642158) is 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cn2cc(CCN)nn2)c1.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is MUBFHYSEDWVWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-21-13-4-2-3-11(7-13)8-16-14(20)10-19-9-12(5-6-15)17-18-19/h2-4,7,9H,5-6,8,10,15H2,1H3,(H,16,20).
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 116642158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).