N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide

C15H20N4O2 — CID 134939021

IUPACN-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide
SMILESCCn1cc(COc2ccc(CCNC(C)=O)cc2)nn1
InChIInChI=1S/C15H20N4O2/c1-3-19-10-14(17-18-19)11-21-15-6-4-13(5-7-15)8-9-16-12(2)20/h4-7,10H,3,8-9,11H2,1-2H3,(H,16,20)
InChIKeyCJRAYNVQLFDMQB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.56
Rot. Bonds7

About N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide

N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide (PubChem CID 134939021) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide
PubChem CID134939021
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide
SMILESCCn1cc(COc2ccc(CCNC(C)=O)cc2)nn1
InChIInChI=1S/C15H20N4O2/c1-3-19-10-14(17-18-19)11-21-15-6-4-13(5-7-15)8-9-16-12(2)20/h4-7,10H,3,8-9,11H2,1-2H3,(H,16,20)
InChIKeyCJRAYNVQLFDMQB-UHFFFAOYSA-N
XLogP1.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 46885820
(Z)-4-[4-[(4-tert-butylphenoxy)methyl]triazol-1-yl]-3-fluorobut-2-en-1-amine;hydrochloride
CID 155527512
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzamide;hydrochloride
CID 155555837
(5Z)-5-[[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155562754
(2S)-N-[(1R)-2-[4-(hydroxymethyl)triazol-1-yl]-1-[4-[(2S)-2-methylpentoxy]phenyl]ethyl]-2-phenylpropanamide
CID 168274798
[1-[(2R)-2-[4-(cyclobutylmethoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]triazol-4-yl]methyl acetate
CID 168275843
(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-(4-methyltriazol-1-yl)ethyl]-2-phenylpropanamide
CID 168278367
(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-phenylpropanamide
CID 168279345
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 46885864
1-Benzyl-4-[(4-methylphenoxy)methyl]triazole
CID 56681975
N-hydroxy-2-(2-methylpropyl)-N'-[2-[4-(phenoxymethyl)triazol-1-yl]ethyl]propanediamide
CID 168270307
(2S)-N-[(1R)-2-[4-(aminomethyl)triazol-1-yl]-1-[4-(cyclobutylmethoxy)phenyl]ethyl]-2-phenylpropanamide
CID 168279298

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide (CID 134939021) is N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide is CCn1cc(COc2ccc(CCNC(C)=O)cc2)nn1.
What is the InChIKey of N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide?
The InChIKey is CJRAYNVQLFDMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-19-10-14(17-18-19)11-21-15-6-4-13(5-7-15)8-9-16-12(2)20/h4-7,10H,3,8-9,11H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide?
N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1-ethyltriazol-4-yl)methoxy]phenyl]ethyl]acetamide is sourced from PubChem (CID 134939021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).