N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide

C16H22N4O — CID 22603030

IUPACN-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide
SMILESCCC(CC)C(c1ccc(NC(C)=O)cc1)n1cncn1
InChIInChI=1S/C16H22N4O/c1-4-13(5-2)16(20-11-17-10-18-20)14-6-8-15(9-7-14)19-12(3)21/h6-11,13,16H,4-5H2,1-3H3,(H,19,21)
InChIKeyNYQBPNURVAXFRN-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.26
Rot. Bonds6

About N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide

N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide (PubChem CID 22603030) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide
PubChem CID22603030
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide
SMILESCCC(CC)C(c1ccc(NC(C)=O)cc1)n1cncn1
InChIInChI=1S/C16H22N4O/c1-4-13(5-2)16(20-11-17-10-18-20)14-6-8-15(9-7-14)19-12(3)21/h6-11,13,16H,4-5H2,1-3H3,(H,19,21)
InChIKeyNYQBPNURVAXFRN-UHFFFAOYSA-N
XLogP3.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide (CID 22603030) is N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide is CCC(CC)C(c1ccc(NC(C)=O)cc1)n1cncn1.
What is the InChIKey of N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide?
The InChIKey is NYQBPNURVAXFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-13(5-2)16(20-11-17-10-18-20)14-6-8-15(9-7-14)19-12(3)21/h6-11,13,16H,4-5H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide?
N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide is sourced from PubChem (CID 22603030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).