N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide

C17H18N4O — CID 807146

IUPACN-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1
InChIInChI=1S/C17H18N4O/c1-3-12-5-8-14(9-6-12)21-19-15-10-7-13(11-16(15)20-21)18-17(22)4-2/h5-11H,3-4H2,1-2H3,(H,18,22)
InChIKeyXZHWCIAHPTUIPY-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.33
Rot. Bonds4

About N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide

N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide (PubChem CID 807146) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
PubChem CID807146
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1
InChIInChI=1S/C17H18N4O/c1-3-12-5-8-14(9-6-12)21-19-15-10-7-13(11-16(15)20-21)18-17(22)4-2/h5-11H,3-4H2,1-2H3,(H,18,22)
InChIKeyXZHWCIAHPTUIPY-UHFFFAOYSA-N
XLogP3.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide?
The IUPAC name of N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide (CID 807146) is N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide?
The canonical SMILES for N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide is CCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1.
What is the InChIKey of N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide?
The InChIKey is XZHWCIAHPTUIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-12-5-8-14(9-6-12)21-19-15-10-7-13(11-16(15)20-21)18-17(22)4-2/h5-11H,3-4H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide?
N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide has a molecular weight of 294.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide is sourced from PubChem (CID 807146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).