N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide

C16H22N4O2 — CID 122132246

IUPACN-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1nnn(CCc2ccc(OC)cc2)c1CC
InChIInChI=1S/C16H22N4O2/c1-4-14-16(17-15(21)5-2)18-19-20(14)11-10-12-6-8-13(22-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)
InChIKeyQNAJOVVXGOTVTA-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.44
Rot. Bonds7

About N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide

N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide (PubChem CID 122132246) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide
PubChem CID122132246
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1nnn(CCc2ccc(OC)cc2)c1CC
InChIInChI=1S/C16H22N4O2/c1-4-14-16(17-15(21)5-2)18-19-20(14)11-10-12-6-8-13(22-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)
InChIKeyQNAJOVVXGOTVTA-UHFFFAOYSA-N
XLogP2.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide (CID 122132246) is N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide is CCC(=O)Nc1nnn(CCc2ccc(OC)cc2)c1CC.
What is the InChIKey of N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide?
The InChIKey is QNAJOVVXGOTVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-14-16(17-15(21)5-2)18-19-20(14)11-10-12-6-8-13(22-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,17,21).
What are the key properties of N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide?
N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 122132246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).