N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide

C13H16N4O2 — CID 166187909

IUPACN-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide
SMILESCCOc1cccc(CNC(=O)Cn2cnnc2)c1
InChIInChI=1S/C13H16N4O2/c1-2-19-12-5-3-4-11(6-12)7-14-13(18)8-17-9-15-16-10-17/h3-6,9-10H,2,7-8H2,1H3,(H,14,18)
InChIKeyJOIUEWWJCZSUIC-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.99
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide

N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide (PubChem CID 166187909) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide
PubChem CID166187909
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide
SMILESCCOc1cccc(CNC(=O)Cn2cnnc2)c1
InChIInChI=1S/C13H16N4O2/c1-2-19-12-5-3-4-11(6-12)7-14-13(18)8-17-9-15-16-10-17/h3-6,9-10H,2,7-8H2,1H3,(H,14,18)
InChIKeyJOIUEWWJCZSUIC-UHFFFAOYSA-N
XLogP0.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 112685361
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 78899307
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905107
2-(dipropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 87016214
N-[(3-ethoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 51606702
(2S)-1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71914135
N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119714458
2-(cyclopropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 60873169

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide (CID 166187909) is N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide is CCOc1cccc(CNC(=O)Cn2cnnc2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is JOIUEWWJCZSUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-19-12-5-3-4-11(6-12)7-14-13(18)8-17-9-15-16-10-17/h3-6,9-10H,2,7-8H2,1H3,(H,14,18).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide?
N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 166187909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).